Computations

Rampi Ramprasad

Professor - Feb '18
Ramprasad

Contact Information

Office:
Love 368

Publications

2017

[184] A. Mannodi-Kanakkithodi, T. D. Huan, R. Ramprasad “Mining materials design rules from data: The example of polymer dielectrics”,  Chem. Mater., (2017). Full text.pdf

[183] S. Biswas, B. Dutta, A. Mannodi-Lanakkithodi, R. Clarke, W. Song, R. Ramprasad, S. L. Suib, “Heterogeneous Mesoporous Manganese/Cobalt Oxide Catalyst for Selective Oxidation of 5-hydroxymethylfurfural to 2,5-diformylfuran”, Chem. Comm., (2017). Full text.pdf

[182] C. Kim, R. Ramprasad, “Dielectric breakdown field of strained silicon under hydrostatic pressure”, Appl. Phys. Lett. 111, 112904 (2017). Full text.pdf

[181] K. Mullick, S. Biswas, C. Kim, R. Ramprasad, A. M. Angeles-Boza, S. L. Suib, “Ullmann Reaction Catalyzed by Heterogeneous Mesoporous Copper/Manganese Oxide: A Kinetic and Mechanistic Analysis”, Inorg. Chem., 56, 10290 (2017). Full text.pdf

[180] T. D. Huan, R. Batra, J. Chapman, S. Krishnan, L. Chen, R. Ramprasad, “A universal strategy for the creation of machine learning-based atomistic force fields”, npj Computational Materials, 3, 27 (2017). Full text.pdf

[179] R. Ramprasad, R. Batra, G. Pilania, A. Mannodi-Kanakkithodi, C. Kim, “Machine Learning and Materials Informatics: Recent Applications and Prospects”, ArXiv e-prints, 1707.07294 (2017). Full text.pdf

[178] R. Batra, T. D. Huan, G. Rossetti, R. Ramprasad, “Dopants Promoting Ferroelectricity in Hafnia: Insights From A Comprehensive Chemical Space Exploration”, Chem. Mater., (2017). Full text.pdf supporting inf.pdf

[177] L. Chen, T. D. Huan, R. Ramprasad, “Electronic Structure of Polyethylene: Role of Chemical, Morphological and Interfacial Complexity”, Sci. Rep., 7 (2017).  Full text.pdf

[176] S. Krishnan, M. K. Mahapatra, P. Singh, R. Ramprasad, “First principles study of Cr poisoning in solid oxide fuel cell cathodes: Application to (La,Sr) CoO3”, ‎Comput. Mater. Sci., 137, 6 (2017). Full text.pdf

[175] C. Kim, T. D. Huan, S. Krishnan, R. Ramprasad, “A hybrid organic-inorganic perovskite dataset”, Scientific Data, 4, 170057 (2017). Full text.pdf

[174] C. Carbogno, R. Ramprasad, M. Scheffler, “Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids”, Phys. Rev. Lett., 118, 175901, (2017). Full text.pdf

[173] G M. Treich, M. Tefferi, S. Nasreen, A. Mannodi-Kanakkithodi, Z. Li, R. Ramprasad, G A. Sotzing, Y. Cao, “A rational co-design approach to the creation of new dielectric polymers with high energy density”, IEEE Trans. Dielectr. Electr. Insul., 24, 732, (2017). Full text.pdf

[172] R. Batra, T. D. Huan, J. L. Jones, G. Rossetti, Jr., R. Ramprasad, “Factors Favoring Ferroelectricity in Hafnia: A First-Principles Computational Study”, J. Phys. Chem. C, 121, 4139 (2017). Full text.pdf

[171] B. Hu, S. Krishnan,  C. Liang, S-J. Heo, A-N. Aphale, R. Ramprasad, P. Singh, “Experimental and thermodynamic evaluation of La(1-x)Sr(x)MnO(3±δ) and La(1-x)Sr(x)Co(1-y)FeyO(3- δ) cathodes in Cr-containing humidified air”, Int. J. Hydrogen Energy, (2017). Full text.pdf

[170] L. Chen,  V. S. Bryantsev,  “A density functional theory based approach for predicting melting points of ionic liquids”, Phys. Chem. Chem. Phys., 19, 4114 (2017). Full text.pdf

[169] V. Botu, R. Batra, J. Chapman, R. Ramprasad, “Machine Learning Force Fields: Construction, Validation, and Outlook”, J. Phys. Chem. C, 121 (1), 511 (2017). Full text.pdf supporting inf.zip

2016

[168] K. Wu, N. Sukumar, N. A. Lanzillo, C. Wang, R. Ramprasad, R. Ma, A. F. Baldwin, G. Sotzing, C. Breneman “Prediction of Polymer Properties Using Infinite Chain Descriptors (ICD) and Machine Learning: Toward Optimized Dielectric Polymeric Materials”, J. Polymer Sci., 54, pp 2082 (2016). Full text.pdf

[167] Z. Li, H. Uehara, R. Ramprasad, S. Boggs, Y. Cao, “Dynamics of Nonlinear Charge Injection in Polymeric Films”, IEEE International Conference on Dielectrics (ICD), pp 978 (2016). Full text.pdf

[166] Z. Li, H. Uehara, R. Ramprasad, S. Boggs, Y. Cao, “Density of Bulk Trap States in Polymeric Films”, IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP), pp 1041 (2016). Full text.pdf

[165] G. M. Treich, S. Nasreen, A. Mannodi-Kanakkithodi, R. Ma, M. Tefferi, J. Flynn, Y. Cao, R. Ramprasad, G. A. SotzingOptimization of Organotin Polymers for Dielectric Applications”, Appl. Mater. Interfaces, 8 (33), 21270 (2016). Full text.pdf

[164] V. Botu, J. Chapman, R. Ramprasad, “A study of adatom ripening on an Al (1 1 1) surface with machine learning force fields”, Comput. Mater. Sci. (2016). Full text.pdf

[163] R. Kashfi-SadabadS. Yazdani, A. AlemiT. D. Huan, R. Ramprasad, M. T. Pettes, “Block Copolymer-Assisted Solvothermal Synthesis of Hollow Bi2MoO6 Spheres Substituted with Samarium”, Langmuir, 32, 10967 (2016). Full text.pdf

[162] S. KrishnanV. SharmaP. Singh, R. Ramprasad, “Dopants in Lanthanum Manganite: Insights from First-Principles Chemical Space Exploration”, J. Phys. Chem. C, 120, 22126 (2016).Full text.pdf supporting inf.pdf

[161] A. Mannodi-Kanakkithodi, G. Pilania, R. Ramprasad, “Critical assessment of regression-based machine learning methods for polymer dielectrics”, Comput. Mater. Sci.,125, 123 (2016). Full text.pdf

[160] A. Mannodi-Kanakkithodi, G. Pilania, R. Ramprasad, T. Lookman, J.E. Gubernatis, “Multi-objective optimization techniques to design the Pareto front of organic dielectric polymers”,Comput. Mater. Sci., 125, 92 (2016).Full text.pdf

[159] C. Kim, G. Pilania, R. Ramprasad “Machine Learning Assisted Predictions of Intrinsic Dielectric Breakdown Strength of ABX3 Perovskites”, J. Phys. Chem. C, 120, 14575 (2016).  Full text.pdf supporting inf.pdf

[158] Z. Luo, R. Miao, T. D. Huan, I. M. Mosa, A. S. Poyraz, W. Zhong, J. E. Cloud, David A. Kriz, S. Thanneeru, J. He, Y. Zhang, R. Ramprasad, and S. L. Suib, “Mesoporous MoO3–x Material as an Efficient Electrocatalyst for Hydrogen Evolution Reactions”, Adv. Energy Mater., (2016). Full text.pdf

[157] M. Misra, A. Mannodi-Kanakkithodi, T. C. Chung, R. Ramprasad,  S. K. Kumar, “Critical role of morphology on the dielectric constant of semicrystalline polyolefins”, J. Chem. Phys. 144, 234905 (2016). Full text.pdf

[156] M. E. Zilm, L. Chen, V. Sharma, A. McDannald, M. Jain, R. Ramprasad, M. Wei “Hydroxyapatite substituted by transition metals: experiment and theory”, Phys. Chem. Chem. Phys., 18, 16457 (2016). Full text.pdf

[155] T. H. Pham, R. Ramprasad, H.-V. Nguyen “Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals”, J. Chem. Phys. 144, 214905 (2016). Full text.pdf

[154] BOOK CHAPTER: T. Mueller, A. G. Kusne, R. Ramprasad “Machine Learning in Materials Science: Recent Progress and Emerging Applications”, Reviews in Computational Chemistry, John Wiley & Sons, Inc., Volume 29, First Edition (2016). Full text.pdf

[153] T. D. Huan,  S. Boggs, G. Teyssedre, C. Laurent, M. Cakmak, S. Kumar, R. Ramprasad, “Advanced polymeric dielectrics for high energy density applications”, Prog. Mater. Sci. 83, 236 (2016). Full text.pdf

[152] A. Mannodi-Kanakkithodi, G. M. Treich, T. D. Huan, R. Ma, M. Tefferi, Y. Cao, G A. Sotzing, R. Ramprasad “Rational Co-Design of Polymer Dielectrics for Energy Storage”, Adv. Mater., 28, 6277 (2016). Full text.pdf

[151]  R. Batra,  T. D. Huan, R. Ramprasad “Stabilization of metastable phases in hafnia owing to surface energy effects”, Appl. Phys. Lett. 108, 172902 (2016). Full text.pdf

[150] V. Sharma,   M. K. Mahapatra, S. Krishnan, Z. Thatcher, B. D. Huey, P. SinghR. Ramprasad “Effects of moisture on (La, A)MnO3 (A = Ca, Sr, and Ba) solid oxide fuel cell cathodes: a first-principles and experimental study”, J. Mater. Chem. A, 4, 5605 (2016). Full text.pdf

[149] T. D. Huan, V. N. Tuoc, N. V. Minh “Layered structures of organic/inorganic hybrid halide perovskites”, Phys. Rev. B, 93, 094105 (2016). Full text.pdf

[148] C. Kim, G. Pilania, R. Ramprasad “From Organized High-throughput Data to Phenomenological Theory: The Example of Dielectric Breakdown”, Chem. Mater., 28, 1304 (2016).  Full text.pdf supporting inf.pdf

[147] T. D. Huan, A. Mannodi-Kanakkithodi, C. Kim, V. Sharma, G. Pilania,  R. Ramprasad “A polymer dataset for accelerated property prediction and design”, Sci. Data, 3, 160012 (2016). Full text.pdf

[146] A. Mannodi-Kanakkithodi, G. Pilania,  T. D. Huan, T. Lookman, R. Ramprasad “Machine Learning Strategy for Accelerated Design of Polymer Dielectrics”, Sci. Rep., 6, 20952 (2016). Full text.pdf

[145]  G. Pilania, A. Mannodi-Kanakkithodi, B. P. Uberuaga, R. Ramprasad, J. E. Gubernatis & T. Lookman “Machine learning bandgaps of double perovskites”, Sci. Rep., 6, 19375 (2016). Full text.pdf

[144] I. M. Mosa, S. Biswas, A. M. El-Sawy, V. Botu, C. Guild, W. Song, R. Ramprasad, J. F. Rusling, S. L. Suib “Tunable mesoporous manganese oxide for high performance oxygen reduction and evolution reactions”, J. Mater. Chem. A, 4, 620 (2016). Full text.pdf

[143] BOOK CHAPTER: V. Botu, A. B. Mhadeshwar, S. L. Suib, R. Ramprasad “Optimal Dopant Selection for Water Splitting with Cerium Oxides: Mining and Screening First Principles Data”,  (Eds. T. Lookman, F.J. Alexander and K. Rajan), Springer Ser. Materials, Vol. 225 (2016). Full text.pdf

2015

[142] V. Botu, R. Ramprasad “Learning scheme to predict atomic forces and accelerate materials simulations”, Phys. Rev. B., 92, 094306 (2015). Full text.pdf

[141] L. Chen, T. D. Huan, C. C. Wang, R. Ramprasad “Unraveling the luminescence signatures of chemical defects in polyethylene”, J. Chem. Phys., 143, 124907 (2015). Full text.pdf

[140] L. Chen, T. D. Huan, Q. Y. Cardona, R. Ramprasad “Charge injection barriers at metal/polyethylene interfaces”,  J. Mater. Sci., 51, 506 (2015). Full text.pdf

[139] S. Saha, S. Rajasekaran, R. Ramprasad “Novel Randomized Feature Selection Algorithms”, International Journal of Foundations of Computer Science, 26, 03, 321 (2015). Full text.pdf

[138] R. Ma,   V. Sharma,   A. F. Baldwin, M. Tefferi, I. Offenbach, M. Cakmak, R. Weiss, Y. Cao,   R. RamprasadG A. Sotzing “Rational design and synthesis of polythioureas as capacitor dielectrics”, J. Mater. Chem. A, 3, 14845 (2015). Full text.pdf

[137] V. Sharma, A. McDannald, M. Staruch, R. Ramprasad, M. Jain “Dopant-mediated structural and magnetic properties of TbMnO3”, Appl. Phys. Lett., 107, 012901 (2015). Full text.pdf

[136] T. D. Huan, A. Mannodi-Kanakkithodi, R. Ramprasad “Accelerated materials property predictions and design using motif-based fingerprints”, Phys. Rev. B, 92, 014106 (2015). Full text.pdf

[135] S. K. Yadav, V. Sharma, R. Ramprasad “Controlling electronic structure through epitaxial strain in ZnSe/ZnTe nano-heterostructures ”, J. Appl. Phys., 118, 015701 (2015). Full text.pdf

[134] H. N. Sharma, V. Sharma, T. D. Huan “Exploring PtSO4 and PdSO4 phases: an evolutionary algorithm based investigation”, Phys. Chem. Chem. Phys, 17, 18146 (2015). Full text.pdf

[133] A. F. Baldwin, T. D. Huan, R. Ma, A. M. Kanakkithodi, M. Tefferi, J. E. Marszalek, N. Katz, Y. Cao, R. Ramprasad, GA. Sotzing “Rational Design of Organotin Polyesters ”, Macromolecules, 48, 2422 (2015). Full text.pdf

[132] H. N. Sharma, V. Sharma, A. B. Mhadeshwar, R. Ramprasad “Why Pt Survives but Pd Suffers From SOx Poisoning?”, J. Phys. Chem. Lett, 6, 1140 (2015). Full text.pdf

[131] V. Sharma, M. K. Mahapatra, P. Singh, R. Ramprasad “Cationic surface segregation in doped LaMnO3 ”,  J. Mater. Sci., 50, 3051 (2015). Full text.pdf

[130] A. F. Baldwin, R. Ma, A. M. Kanakkithodi, T. D. Huan, C. C. Wang, M. Tefferi, J. E. Marszalek, M. Cakmak, Y. Cao, R. Ramprasad, GA. Sotzing  “Poly(dimethyltin glutarate) as a Prospective Material for High Dielectric Applications”, Adv. Mater., 27, 346 (2015). Full text.pdf

[129] V. Botu, R. Ramprasad “ Adaptive Machine Learning Framework to Accelerate Ab Initio Molecular Dynamics ”, International Journal of Quantum Chemistry, 115, 1074 (2015). Full text.pdf

2014

[128] L. H. Chen, T. D. Huan, H. Ahmed,  Q. Y.  Cardona, R. Ramprasad “First-principles study of aluminum-polyethylene interfaces”,  IEEE Conference on Electrical Insulation and Dielectric Phenomena (CEIDP), (2014). Full text.pdf

[127] R. Michalsky, V. Botu, C. M. Hargus, A. A. Peterson, A. Steinfeld “ Design Principles for Metal Oxide Redox Materials for Solar-Driven Isothermal Fuel Production ”, Adv. Energy Mater. 4, 1401082 (2014). Full text.pdf

[126] A. F. Baldwin, R. Ma, T. D. Huan, Y. Cao, R. Ramprasad, GA. Sotzing “Effect of Incorporating Aromatic and Chiral Groups on the Dielectric Properties of Poly(dimethyltin esters)Macromol. Rapid Commun., 35, 2082 (2014). Full text.pdf]

[125] Q. Zhu, V. Sharma, A. R. Oganov, R, Ramprasad “Predicting polymeric crystal structures by evolutionary algorithms ”, J. Chem. Phys. 141, 154102 (2014). Full text.pdf

[124] A. Mannodi-Kanakkithodi, C. C. Wang, R. Ramprasad “Compounds based on Group 14 elements: building blocks for advanced insulator dielectrics design ”, J. Mater. Sci., 50, 801 (2014). Full text.pdf

[123] V. Sharma, C. C. Wang, R. G. Lorenzini, R. Ma, Q. Zhu, D. W. Sinkovits, G. Pilania, A. R. Oganov, S. Kumar, G. A. Sotzing, S. A. Boggs, R. Ramprasad “Rational design of all organic polymer dielectrics”, Nature Communications. 5, 4845 (2014). Full text.pdf

[122] T. D. Huan, V. Sharma, G. A. Rossetti, R. Ramprasad “Pathways towards ferroelectricity in hafnia”, Phys. Rev. B. 90, 064111 (2014). Full text.pdf

[121] G. Ramanath, M. Kwan, P. K. Chow, Y. C. Quintero, P. H. Mutin, R. Ramprasad “Tuning of noble metal work function with organophosphonate nanolayers”, Appl. Phys. Lett. 105, 081601 (2014). Full text.pdf

[120] M. Staruch, V. Sharma, C. dela Cruz, R. Ramprasad, M. Jain “Magnetic ordering in TbMn0.5Cr0.5O3 studied by neutron diffraction and first-principles calculations”, J. Appl. Phys. 116, 033919 (2014). Full text.pdf

[119] R. Ma, A. F. Baldwin, C. C. Wang, I. Offenbach, M. Cakmak, R. Ramprasad, GA. Sotzing “Rationally Designed Polyimides for High-Energy Density Capacitor Applications”, ACS Appl. Mater. Interfaces., 6, 10445 (2014). Full text.pdf

[118] Z. Ren, V. Botu, S. B. Wang, Y. T. Meng, W. Q. Song, Y. B. Guo, R, Ramprasad, S. L. S, P. X. Gao “Monolithically Integrated Spinel MxCo3-xO4 (M=Co, Ni, Zn) Nanoarray Catalysts: Scalable Synthesis and Cation Manipulation for Tunable Low-Temperature CH4 and CO Oxidation”, Angew. Chem. Int. Ed., 53, 1 (2014). Full text.pdf

[117] S. K. Yadav, R. Ramprasad, A. Misra, X.-Y. Liu “Core structure and Peierls stress of edge and screw dislocations in TiN: A density functional theory study”, Acta Materialia. 74, 268 (2014). Full text.pdf

[116] C. C. Wang, R. Ramprasad, “Novel Hybrid Polymer Dielectrics Based on Group 14 Chemical Motifs”, Int. J. Hi. Spe. Ele. Syst. 23, 1420002 (2014). Full text.pdf

[115] C. S. Liu, G. Pilania, C. C. Wang, R. Ramprasad, “Correction to “How Critical Are the van der Waals Interactions in Polymer Crystals?””, J. Phys. Chem. A, 118, 3710 (2014). Full text.pdf

[114] S. K.Yadav, R. Ramprasad, J. Wang, A. Misra, X. Y. Liu, “First-principles study of Cu/TiN and Al/TiN interfaces: weak versus strong interfaces”, Modelling Simul. Mater. Sci. Eng., 10, 035020 (2014). Full text.pdf

[113] H. N. Sharma, V. Sharma, T.Hamzehlouyan, W. Epling, A. B. Mhadeshwar, R. Ramprasad, “SOx Oxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling”, J. Phys. Chem. C, 10, 1021 (2014). Full text.pdf

[112] C. C. Wang, G. Pilanina, S. Boggs, S. Kumar, C. Breneman, R. Ramprasad, “Computational strategies for polymer dielectrics design”, Polymer, 55, 979 (2014).  Full text.pdf

[111] M.Misra, M. Agarwal, D. W. Sinkovits, S. K. Kumar, C. C. Wang, G. Pilania, R. Ramprasad, R. A. Weiss, X.P. Yuan,TC.M. Chung, “Enhanced Polymeric Dielectrics through Incorporation of Hydroxyl Groups”, Macromolecules, 47, 1122 (2014). Full text.pdf

[110] V. Botu, R. Ramprasad, A. B. Mhadeshwar, “Ceria in an oxygen environment: Surface phase equilibria and its descriptors”, Surf. Sci., 619, 49 (2014). Full text.pdf

[109] S. K. Yadav, X. -Y. Liu, J. Wang, R. Ramprasad, A. Misra, R. G. Hoagland, “First-principles density functional theory study of generalized stacking faults in TiN and MgO”, Philos. Mag., 94, 464 (2014). Full text.pdf

2013

[108] S. Saha, R. Ramprasad, S. Rajasekaran, “A novel randomized feature selection algorithm”, The 9th International Conference on Data Mining (2013). Full text.pdf

[107] C. R. Bealing, R. Ramprasad, “An atomistic description of the high-field degradation of dielectric polyethylene”, J. Chem. Phys., 139, 174904 (2013). Full text.pdf

[106] Y. Cardona Quintero, Ganpati Ramanath, R. Ramprasad, “Environment-dependent interfacial strength using first principles thermodynamics: The example of the Pt-HfO2 interface”, J. Appl. Phys., 114, 163503 (2013). Full text.pdf

[105] V. Sharma, G. Pilania, “Electronic, magnetic, optical and elastic properties of Fe2YAl (Y=Ti, V and Cr) using first principles methods”, J. Magn. Magn. Mater., 339, 142 (2013). Full text.pdf

[104] G. Pilania, V. Sharma, “First principles investigations of structural, electronic, elastic, and dielectric properties of KMgF3”, J. Mater. Sci., 48, 7635 (2013). Full text.pdf

[103] D. Bolliger, G. Pilania, S. Boggs, “The effect of oxidative and paper degradation impurities on partial discharge characteristics of hexadecane”, IEEE Trans. Dielectr. Electr. Insul., 20, 1669 (2013). Full text.pdf

[102] G. Pilania, C. C. Wang, X. Jiang, S. Rajasekaran, R. Ramprasad, “Accelerating materials property predictions using machine learning”, Sci. Rep., 3, 2810 (2013). Full text.pdf

[101] D. Bolliger, G. Pilania, S. A. Boggs, “The effect of aromatic and sulfur compounds on partial discharge characteristics of hexadecane”, IEEE Trans. Dielectrics and Electrical Insulation, 20, 801 (2013). Full text.pdf

[100] H. Zhu, Ganpati Ramanath, R. Ramprasad, “Interface engineering through atomic dopants in HfO2-based gate stacks”, J. Appl. Phys. 114, 114310(2013). Full text.pdf

[99] L. Autry, R. Ramprasad, “The migration and formation energies of N-interstitials near [001] Fe surfaces: an ab initio study”, J. Mater. Sci. 48, 6542(2013). Full text.pdf

[98] BOOK CHAPTER: Hom N. Sharma, Steven L. Suib, and Ashish B. Mhadeshwar, “Interactions of Sulfur Oxides with Diesel Oxidation Catalysts (DOCs)”, in Novel Materials for Catalysis and Fuels Processing”(Ed. Juan J. Bravo-Suarez, Michelle K. Kidder, Viviane Schwartz), American Chemical Society (2013). Full text.pdf

[97] Philippe K. Chow, Y. Cardona Quintero, Peter O’Brien, P. Hubert Mutin, Michael Lane, R. Ramprasad, and Ganpati Ramanath, “Gold-titania interface toughening and thermal conductance enhancement using an organophosphonate nanolayer”, Appl. Phys. Lett. 102, 201605 (2013). Full text.pdf

[96] R. G. Lorenzini, W.M. Kline, C.C. Wang, R. Ramprasad, G.A. Sotzing, “The rational design of polyurea & polyurethane dielectric materials”, Polymer 54, 3529 (2013). Full text.pdf

[95] V. Sharma, G. Pilania, G. A. Rossetti, Jr., K. Slenes, and R. Ramprasad, “Comprehensive examination of dopants and defects in BaTiO3 from first principles”, Phys. Rev. B 87, 134109 (2013). Full text.pdf

[94] A. F. Baldwin, R. Ma, C. C. Wang, R. Ramprasad, G. A. Sotzing, “Structure-property relationship of polyimides based on pyromellitic dianhydride and short-chain aliphatic diamines for dielectric material applications”, J. Appl. Polym. Sci. 130, 1276 (2013). Full text.pdf

[93] C. C. Wang, G. Pilania, R. Ramprasad, M. Agarwal, M. Misra, S. Kumar, X. Yuan and T. C. Mike Chung, “Dielectric permittivity enhancement in hydroxyl functionalized polyolefins via cooperative interactions with water”, Appl. Phys. Lett. 102, 152901 (2013).    Full text.pdf

[92] G. Pilania, C. C. Wang, K. Wu, N. Sukumar, C. Breneman, G. Sotzing and R. Ramprasad, “New Group 4 chemical motifs for polymeric dielectrics with high energy density”, J. Chem. Inf. Model, 53, 879 (2013). Full text.pdf

[91] Y. Sun, C. Bealing, S. A. Boggs and R. Ramprasad, “50+ Years of Intrinsic Breakdown”, IEEE Electrical Insulation Magazine, 29, 8 (2013). Full text.pdf

[90] G. Pilania, K. Slenes, and R. Ramprasad, “First principles study of the interface between silicone and undoped/doped BaTiO3”, J. Appl. Phys., 113, 064316 (2013). Full text.pdf

[89] Y. Cardona Quintero, H. Zhu, R. Ramprasad, “Adsorption of CH3S and CF3S on Pt(111) surface: a density functional theory study”, J. Mater. Sci., 48, 2277 (2013). Full text.pdf

[88] C. C. Wang, G. Pilania, and R. Ramprasad, “Dielectric properties of carbon-, silicon-, and germanium-based polymers: A first-principles study”, Phys. Rev. B, 87, 035103 (2013). Full text.pdf

[87] Y. B. Guo, Z. Ren, W. Xiao, C. H. Liu, H. Sharma, H. Y. Gao, A. Mhadeshwar,and P.X. Gao “Robust 3-D configurated metal oxide nano-array based monolithic catalysts with ultrahigh materials usage efficiency and catalytic performance tunability”, Nano Energy, 5, 873 (2013). Full text.pdf

2012

[86] L. Pahalagedara, H. Sharma, CH. Kuo, S. Dharmarathna, A. Joshi, S. L. Suib,and A. Mhadeshwar, “Structure and Oxidation Activity Correlations for Carbon Blacks and Diesel Soot”, Energy Fuels, 26, 6757(2012). Full text.pdf

[85] H. Sharma, L. Pahalagedara, A. Joshi, S. L. Suib,and A. Mhadeshwar, “Experimental Study of Carbon Black and Diesel Engine Soot Oxidation Kinetics Using Thermogravimetric Analysis”, Energy Fuels, 26, 5613 (2012). Full text.pdf

[84] H. Sharma, A. Mhadeshwar, “A detailed microkinetic model for diesel engine emissions oxidation on platinum based diesel oxidation catalysts (DOC)”, Appl. Catal., B 127, 190 (2012). Full text.pdf

[83] R. J. Mehta, Y. L. Zhang, H. Zhu, D. S. Parker, M. Belley, D. J. Singh, R. Ramprasad, T. Borca-Tasciuc, and G. Ramanath, “Seebeck and Figure of Merit Enhancement in Nanostructured Antimony Telluride by Antisite Defect Suppression through Sulfur Doping”, Nano Lett. 12, 4523 (2012). Full text .pdf

[82] G. Pilania, P.-X. Gao, and R. Ramprasad, “Establishing the LaMnO3 surface phase diagram in an oxygen environment: An ab initio kinetic Monte Carlo simulation study”, J. Phys. Chem. C 116, 26349 (2012). Full text.pdf

[81] Y. Sun, S. A. Boggs, R. Ramprasad, “The intrinsic electrical breakdown strength of insulators from first principles”, Appl. Phys. Lett., 101, 132906 (2012). Full text.pdf

[80] C. S. Liu, G. Pilania, C. C. Wang, R. Ramprasad, “How Critical Are the van der Waals Interactions in Polymer Crystals?”, J. Phys. Chem., A 116, 9347 (2012). Full text.pdf

[79] S. K. Yadav, J. Wang, R. Ramprasad, A. Misra, and X.-Y. Liu, “Structural rotation of Al under uniaxial compression: A first-principles prediction”, J. Appl. Phys., 112, 043513 (2012). Full text.pdf

[78] R. Ramprasad, V. Kumar, L. R. C. Fonseca and B. R. Tuttle, “Recent advances in first principles computations in materials research”, J. Mater. Sci., 47, 7313 (2012). Full text.pdf

[77] S. K. Yadav, and R. Ramprasad, “Strain-assisted bandgap modulation in Zn based II-VI semiconductors”, Appl. Phys. Lett., 100, 241903 (2012). Full text.pdf

[76] BOOK CHAPTER: G. Pilania, H. Zhu and R. Ramprasad, “Applications of modern density functional theory to surfaces and interfaces”, in A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences (Ed. N. Sukumar), Wiley (2012). Full text.pdf

[75] H. Zhu, C. Tang, L. R. C. Fonseca, and R. Ramprasad, “Recent progress in ab initio simulations of hafnia-based gate stacks”, J. Mater. Sci., 47, 7399 (2012). Full text.pdf

[74] S. K. Yadav, R. Ramprasad, A. Misra,, and X.-Y. Liu, “First-prnciples study of shear behavior of Al, TiN, and coherent Al/TiN interfaces”, J. Appl. Phys., 111, 083505 (2012). Full text.pdf

[73] G. Pilania and R. Ramprasad, “Dielectric permittivity of ultrathin PbTiO3 nanowires from first principles”, J. Mater. Sci., 47, 7580 (2012). Full text.pdf

[72] M. Ribeiro, Jr., L. R. C. Fonseca, T. Sadowski, and R. Ramprasad, “Ab initio calculation of the CdSe/CdTe heterojunction band offset using the local-density approximation-1/2 technique with spin-orbit corrections”, J Appl. Phys. 111, 073708 (2012). Full text.pdf

[71] R. Ramprasad, H. Zhu, P. Rinke, and M. Scheffler, “New perspective on formation energies and energy levels of point defects in non-metals”, Phys Rev. Lett. 108, 066404 (2012). Full text.pdf

2011

[70] D. Vijayashankar, H. Zhu, S. Garg, R. Teki, R. Ramprasad, M. W. Lane, and G. Ramanath, “Atomistic mechanisms of moisture-induced fracture at copper-silica interfaces”, Appl. Phys. Lett., 99, 133103(2011). Full text.pdf

[69] H. Zhu and R. Ramprasad, “The stability and work function of TaCxN1-x alloy surfaces”, J. Appl. Phys., 109, 083719 (2011). Full text.pdf

[68] P. Shimpi, S. K. Yadav, R. Ramprasad, and P.-X. Gao, “Conversion of [0001] Textured ZnO Nanofilm into [010] Directed Nanowires Driven by CO Adsorption: In Situ Carbothermal Synthesis and Complementary First Principles Thermodynamics Simulations”, J. Phys. Chem. C, 115, 7372 (2011). Full text.pdf

[67] Y. Zhong, H. Zhu, L. L. Shaw and R. Ramprasad, “The equilibrium morphology of WC particles – A combined ab initio and experimental study”, Acta Mater., 59, 3748 (2011). Full text.pdf

[66] H. Zhu and R. Ramprasad, “Effective work function of metals interfaced with dielectrics: A first-principles study of the Pt-HfO2 interface”, Phys. Rev. B, 83, 081416(R) (2011). Full text.pdf

[65] C. C. Wang and R. Ramprasad, “Dielectric Properties of organosilicons from first principles”, J. Mater. Sci., 46, 90 (2011). Full text.pdf

2010

[64] H. Zhu, C. Tang and R. Ramprasad, “Phase equilibria at Si-HfO2 and Pt-HfO2 interfaces from first principles thermodynamics”, Phys. Rev. B, 82, 235413 (2010). Full text.pdf

[63] Y. Zhong, H. Zhu, L. L. Shaw, and R. Ramprasad, “Ab Initio Computational Studies of Mg Vacancy Diffusion in Doped MgB2 Aimed at Hydriding Kinetics Enhancement of the LiBH4 + MgH2 System”,J. Phys. Chem. C, 114, 21801 (2010). Full text.pdf

[62] G. Pilania and R. Ramprasad, “Complex Polarization Ordering in PbTiO3 Nanowires: A First Principles Computational Study”, Phys. Rev. B, 82, 155442 (2010). Full text.pdf

[61] G. Pilania and R. Ramprasad, “Adsorption of atomic oxygen on cubic PbTiO3 and LaMnO3 (001) surfaces: A density functional theory study”, Surf. Sci., 604, 1889 (2010). Full text.pdf

[60] A. A. Huzayyin, S. A. Boggs, R. Ramprasad, “Density functional analysis of chemical impurities in dielectric polyethylene”, IEEE Trans. Dielectrics and Electrical Insulation, 17, 926 (2010). Full text.pdf

[59] A. A. Huzayyin, S. A. Boggs, R. Ramprasad, “Quantum mechanical studies of carbonyl impurities in dielectric polyethylene”, IEEE Trans. Dielectrics and Electrical Insulation, 17, 920 (2010). Full text.pdf

[58] T. Sadowski and R. Ramprasad, “First Principles Computational Study of Wurtzite CdTe Nanowires“, J. Mater. Sci., 45, 5463 (2010). Full text.pdf

[57] L. Dong, S. K. Yadav, R. Ramprasad, and S. P. Alpay, “Band gap tuning in GaN through equibiaxial in-plane strains”, Appl. Phys. Lett., 96, 202106 (2010). Full text.pdf

[56] S. K. Yadav, T. Sadowski and R. Ramprasad, “Density functional theory study of ZnX (X=O, S, Se, Te) under uniaxial strain”, Phys. Rev. B, 81, 144120 (2010). Full text.pdf

[55] C. Tang, and R. Ramprasad, “Point defect chemistry in amorphous HfO2: Density functional theory calculations”, Phys. Rev. B, 81, 161201(R) (2010). Full text.pdf

[54] T. Sadowski, and R. Ramprasad, “Ab Initio Thermodynamic Model to Assess Stability of Heterostructure Nanocrystals”, Appl. Phys. Lett., 96, 101906 (2010). Full text.pdf

[53] J. D. Doll, G. Pilania, R. Ramprasad and F. Papadimitrakopoulos, “Oxygen-Assisted Unidirectional Growth of CdSe Nanorods Using a Low-Temperature Redox Process”, Nano Lett., 10 (2), 680 (2010). Full text

[52] T. Sadowski, and R. Ramprasad, “Core/Shell CdSe/CdTe Heterostructure Nanowires Under Axial Strain”, J. Phys. Chem. C, 114, 1173 (2010). Full text.pdf

[51] M. E. Stournara and R. Ramprasad, “A first principles investigatioin of isotactic polypropylene”, J. Mater. Sci. 45, 443 (2010). Full text.pdf

[50] BOOK CHAPTER: R. Ramprasad, N. Shi and C. Tang, “Modeling the physics and chemistry of interfaces in nanodielectrics”, in Dielectric Polymer Nanocomposites (Ed. J. K. Nelson), Springer (2010). Full text.pdf

2007-2009

[49] A. Huzayyin, S. Boogs, and R. Ramprasad, “Computational Quantum Mechanics-Based Study of Conduction in Iodine Doped Polyethylene.pdf” , Annual Report Conference on ELectrical Insulation and Dielectric Phenomena, 138 (2009). Full text.pdf

[48] H. Zhu, M. Aindow and R. Ramprasad, “Stability and work function of TiCxN1−x alloy surfaces: Density functional theory calculations”, Phys. Rev. B, 80, 201406(R) (2009). Full text.pdf

[47] G. Pilania, S. P. Alpay and R. Ramprasad, “Ab initio study of ferroelectricity in BaTiO3 nanowires”, Phys. Rev. B, 80, 014113 (2009). Full text.pdf

[46] G. Pilania, D. Q. Tan, Y. Cao, V. S. Venkataramani, Q. Chen and R. Ramprasad, “Ab initio study of antiferroelectric PbZrO3 (001) surfaces”, J. Mater. Sci., 44, 5249 (2009). Full text.pdf

[45] G. Pilania, T. Sadowski and R. Ramprasad, “Oxygen adsorption on CdSe Surfaces: A case study of asymmetric anisotropic growth through Ab initio computations”, J. Phys. Chem. C, 113(5), 1863 (2009). Full text.pdf

[44] K. Zhou, S. A. Boggs, R. Ramprasad, M. Aindow, C. Erkey and S. P. Alpay, “Dielectric response and tunability of a dielectric-paraeletric composite”, Appl. Phys. Lett., 93, 102908 (2008). Full text.pdf

[43] C. Tang and R. Ramprasad, “Oxygen defect accumulation at Si:HfO2 interfaces”, Appl. Phys. Lett., 92, 182908 (2008). Full text.pdf

[42] C. Tang and R. Ramprasad, “A study of Hf vacancies at Si:HfO2 heterojunctions”, Appl. Phys. Lett., 92, 152911 (2008). Full text.pdf

[41] N. Shi and R. Ramprasad, “Local properties at interfaces in nanodielectrics: An ab initio computational study”, IEEE Trans. Dielectrics and Electrical Insulation, 15, 170 (2008). Full text.pdf

[40] N. Shi and R. Ramprasad, “Local dielectric permittivity of HfO2 based slabs and stacks: A first principles study”, Appl. Phys. Lett., 91, 242906 (2007). Full text.pdf

[39] S. Agarwal, M. S. Raghuveer, R. Ramprasad, and G. Ramanath, “Multishell carrier transport in multiwalled carbon nanotube thin films”, IEEE Transactions on Nanotechnology, 6, 722 (2007). Full text.pdf

[38] J. Ho, R. Ramprasad, and S. Boggs, “Effect of UV treatment on the dielectric strength of BOPP films”, IEEE Transactions on Dielectrics and Electrical Insulation, 14, 1295 (2007). Full text.pdf

[37] T. Sadowski and R. Ramprasad, “Stability and electronic structure of CdSe nanorods from first principles”, Phys. Rev. B, 76, 235310 (2007). Full text.pdf

[36] C. Tang, B. R. Tuttle and R. Ramprasad, “Diffusion of O vacancies near Si:HfO2 interfaces: an ab initio investigation”, Phys. Rev. B, 76, 073306 (2007). Full text.pdf

[35] C. Tang and R. Ramprasad, “Oxygen pressure dependence of HfO2 stoichiometry: An ab initio investigation”, Appl. Phys. Lett., 91, 022904 (2007). Full text.pdf

[34] B. R. Tuttle, C. Tang and R. Ramprasad, “First-principles study of the valence band offset between silicon and hafnia”, Phys. Rev. B, 75, 235324 (2007). Full text.pdf

[33] C. Tang and R. Ramprasad, “Ab initio study of O interstitial diffusion near Si:HfO2 interfaces”, Phys. Rev. B 75, 241302(R) (2007). Full text.pdf

[32] N. Shi and R. Ramprasad, “The intrinsic dielectric properties of phthalocyanine crystals: An ab initio investigation”, Phys. Rev. B, 75, 155429 (2007). Full text.pdf

[31] N. Shi and R. Ramprasad, “Dielectric propertis of nanoscale multi-component system: A first principles computational study”, J. Computer-Aided Materials Design, 14, 133 (2007). Full text.pdf

[30] M. Yu, G. Fernando, R. Li, F. Papadimitrakopoulos, N. Shi and R. Ramprasad, “Discrete size series of CdSe quantum dots: A combined computational and experimental investigation”, J. Computer-Aided Materials Design, 14, 167 (2007). Full text.pdf

2004-2006

[29] M. Yu, G. Fernando, R. Li, F. Papadimitrakopoulos, N. Shi and R. Ramprasad, “First principles study of CdSe quantum dots: Stability, surface unsaturations, and experimental validation”, Appl. Phys. Lett., 88, 231910 (2006). Full text.pdf

[28] N. Shi and R. Ramprasad, “Dielectric properties of Cu-phthalocyanine systems from first principles”, Appl. Phys. Lett., 89, 102904 (2006). Full text.pdf

[27] R. Ramprasad and C. Tang, “Circuit elements at optical frequencies from first principles: A synthesis of electronic structure and circuit theories”, J. Appl. Phys., 100, 034305 (2006). Full text.pdf

[26] N. Shi and R. Ramprasad,”Atomic-scale dielectric permittivity profiles in slabs and multilayers”, Phys. Rev. B., 74, 045318 (2006). Full text.pdf

[25] R. Ramprasad and N. Shi, “Polarizability of phthalocyanine based molecular systems: A first-principles electronic structure study”, Appl. Phys. Lett., 88, 222903 (2006). Full text.pdf

[24] N. Shi and R. Ramprasad, “Dielectric properties of ultrathin SiO2 slabs”, Appl. Phys. Lett., 87, 262102 (2005). Full text.pdf

[23] R. Ramprasad and N. Shi, “Scalability of phononic crystal heterostructures”, Appl. Phys. Lett., 87, 111101 (2005). Full text.pdf

[22] R. Ramprasad and N. Shi, “Dielectric properties of nanoscale HfO2 slabs”, Phys. Rev. B., 72, 052107 (2005). Full text.pdf

[21] R. Ramprasad , P. Zurcher, M. Petras, M. Miller and P. Renaud, “Magnetic properties of metallic ferromagnetic nanoparticle composites”, J. Appl. Phys., 96, 519 (2004). Full text.pdf

[20] R. Ramprasad, “First principles study of migration of oxygen vacancies in Ta2O5.pdf”, J. Appl. Phys., 95, 954 (2004). Full text.pdf

2000-2003

[19] R. Ramprasad, “Phenomenological theory to model leakage currents in metal-insulator-metal capacitor systems”, Physica Status Solidi, 239, 59 (2003). Full text.pdf

[18] R. Ramprasad, “First principles study of oxygen vacancy induced defect levels in bulk Ta2O5.pdf”, J. Appl. Phys., 94, 5609 (2003). Full text.pdf

[17] R. Ramprasad, M. Sadd, D. Roberts, T. Remmel, M. Raymond, E. Luckowski, S. Kalpat, C. Barron, and M. Miler, “Oxygen vacancy defects in bulk tantalum pentoxide: a density functional study”, Microelectronics Eng., 69, 190 (2003). Full text.pdf

[16] R. Ramprasad, “First principles energy and stress fields in defected materials”, J. Phys.: Condes. Matter, 14, 5497 (2002). Full text.pdf

[15] R. Ramprasad, P. Zurcher,M. Petras, M. Miller and P. Renaud, “Fundamental limits of soft magnetic particle composites for high frequency applications”, Phys. Stat. Sol.(b), 233, 31 (2002). Full text.pdf

[14] Paul von Allmen, R. Ramprasad and L. R. C. Fonseca, “Calculating the field emission current from a carbon nanotube”, Phys. Stat. Sol.(b), 226, 107 (2001). Full text.pdf

[13] Victor Mama, L. R. C. Fonseca, A. Pavani Filho, O. R. Monteiro, R. Ramprasad and P. von Allmen, “Porous field emission devices based on polyimide membranes using diode and triode configurations”, J. of Vac. Sci. Technol. B, 19, 537 (2001).  Full text.pdf

[12] R. Ramprasad, L. R. C. Fonseca and Paul von Allmen, “Calculation of the field emission current from a jellium surface using the Bardeen transfer hamiltonian method”, Phys. Rev. B., 62, 5216 (2000). Full text.pdf

[11] L. R. C. Fonseca, Paul von Allmen and R. Ramprasad, “Numerical simulation of the tunneling current and balistic electron effects in field emission devices”, J. Appl. Phys., 87, 2533 (2000). Full text.pdf

1993-1999

[10] R. Ramprasad, Paul von Allmen and L. R. C. Fonseca, “Contributions to the work function: a density functional study of adsorbates at graphene ribbon edges”, Phys. Rev. B, 60, 6023 (1999). Full text.pdf

[9] D. Liao, K. M. Glassford, R. Ramprasad and J. B. Adams, “DFT-LDA study of NO adsorption on Rh(110) surfaces”, Surf. Sci., 415, 11 (1998). Full text.pdf

[8] W. F. Schneider, K. C. Hass, R. Ramprasad and J.B. Adams, “Density functional Theory study of transformations of nitrogen oxides catalyzed by Cu-exchanged zeolites”, J. Phys. Chem. B., 102(19), 3692 (1998). Full text.pdf

[7] R. Ramprasad, K. C. Hass, W. F. Schneider, J.B. Adams, “Cu-dinitrosyl species in zeolites: a density functional molecular cluster study”, J. Phys. Chem. B., 101, 6903 (1997). Full text.pdf

[6] W. F. Schneider, K. C. Hass, R. Ramprasad, J.B. Adams, “First -principles analysis of elementary steps in the catalytic decomposition of NO by Cu-exchanged zeolites”, J. Phys. Chem. B, 101, 4353 (1997). Full text.pdf

[5] R. Ramprasad, W. F. Schneider, K. C. Hass and J.B. Adams, “A theoretical study of CO and NO vibrational frquencies in Cu-water clusters and implications for Cu-exchanged zeolites”, J. Phys. Chem. B, 101, 1940 (1997). Full text.pdf

[4] R. Ramprasad, K. M. Glassford, J. B. Adams and R. I. Masel, “CO on Pd(110): Determination of the optimal adsorption site”, Surf. Sci., 360, 31 (1996). Full text.pdf

[3] W. F. Schneider, K. C. Hass, R. Ramprasad and J.B. Adams, “Cluster models of Cu binding and CO and NO adsorption in Cu-exchanged zeolites”, J. Phys. Chem. B, 100, 6032 (1996). Full text.pdf

[2] J.B. Adams, A. Rockett, J. Kieffer, W. Xu, M.Nomura, K. A. Kilian, D. F. Richards and R. Ramprasad, “Atomic-level computer simulation”, J. Nucl. Mater., 216, 265 (1994).

[1] R. Ramprasad and R. G. Hoagland, “Thermodynamic properties of small zinc clusters based on atomistic simulations”, Modeling Simul. Mater. Sci. Eng. , 1, 189 (1993). Full text.pdf

Patents:

[4] R. Ramprasad, M. Petras, and C. T. Tsai, “Applications of high impedance surfaces” [US 7136028; issued in Nov. 14, 2006]

[3] R. Ramprasad, M. Petras, and C. T. Tsai “Frequency selective high impedance surface” [US 7136029; issued in Nov. 14, 2006]

[2] P. Renaud and R. Ramprasad, “Layered magnetic material design for high frequency inductor applications” [EP 1536433; issued in June 1, 2005]

[1] R. Ramprasad and M. Petras, “Electromagnetic bandgap microwave filters” [US 6943650 B2; issued in Sep. 13, 2005]

Hamid Garmestani

Professor
Garmestani

Contact Information

Office:
Love 361
Phone:
404.385.4495
Fax:
404.894.9140

Dr. Hamid Garmestani is a Professor in the School of Materials Science and Engineering at the Georgia Institute of Technology. He received his education from Cornell University (Ph.D. 1989 in Theoretical and Applied Mechanics) and the University of Florida (B.S. 1982 in Mechanical Engineering, M.S. 1984 in Materials Science and Engineering). After serving a year as a post -doctoral fellow at Yale University, he joined the Mechanical Engineering Department at Florida State University (FAMU-FSU College of Engineering) in 1990. 


  • Mechanical properties
  • Statistical approaches
  • Microstructure Sensitive Design
  1. Li DS, Saheli G, Khaleel M, Garmestani, H., “Microstructure optimization in fuel cell electrodes using materials design”, CMC-COMPUTERS MATERIALS & CONTINUA 4 (1): 31-42 AUG 2006.
  2. D.S. Li, H. Garmestani, S. Ahzi, Processing path optimization to achieve desired texture in polycrystalline materials, Acta Materialia 55 (2007) 647–654.
  3. H. Garmestani, S. Lin, B. Adams, S. Ahzi, "Statistical Continuum Theory for Texture Evolution of Polycrystals", Journal of the Mechanics and physics of Solids 49, (2001) 589-607.

Arun Gokhale

Professor
Gokhale

Contact Information

Office:
Love 265
Phone:
404.894.2887
Fax:
404.894.9140

Dr. Arun M. Gokhale is a Professor in the School of Materials Science and Engineering at the Georgia Institute of Technology. Prior to joining the Georgia Tech faculty in 1989, Dr. Gokhale’s work history encompassed fifteen years of teaching, and industrial research and development experience. Dr. Gokhale holds a B.Tech (1970) and M.Tech (1972) in Metallurgical Engineering from the Indian Institute of Technology, and a Ph.D. in Materials Science and Engineering (1977) from the University of Florida. Professor Gokhale is a Fellow of ASM International.

Grad Students

Gokhale

  • quantitative fractography
  • damage evolution in composites
  • microstructural evolution during deformation and fracture, with primary focus on quantitative description of microstructure and its evolution during materials processes
  1. H. Singh, A.M. Gokhale, Y. Mao, and J. E. Spowart: “Computer Simulations of Realistic Microstructures of Discontinuously Reinforced Aluminum Alloy (DRA) Composites”, Acta Materialia, Vol. 54, Issue 8, PP 2131-2143, 2006.
  2. A. Tewari and A.M. Gokhale: “Nearest Neighbor Distributions in Thin Films, Sheets, and Plates” Acta Materialia, Vol. 54, Issue 7, PP 1957-1963, 2006.

Karl I. Jacob

Professor
Jacob

Contact Information

Office:
MRDC 4509
Phone:
404.894.2541
Fax:
404.894.8780

Dr. Karl I. Jacob, a Professor of Materials Science and Engineering with a joint appointment in the G. W. Woodruff School of Mechanical Engineering teaches graduate and undergraduate courses on polymer physics and engineering, rheology, and mechanics of polymeric materials. His graduate work was in the area of numerical analysis of vibrating three-dimensional structures. He came to Georgia Tech from DuPont Corporation in 1995.

Grad Students

Seung Soon Jang

Associate Professor
Jang

Contact Information

Office:
Love 351
Phone:
404.385.3356
Fax:
404.894.9140

Dr. Seung Soon Jang joined the School of Materials Science and Engineering at the Georgia Institute of Technology in July 2007. Dr. Jang worked at Samsung Electronics and the Materials and Process Simulation Center (MSC) at CalTech performing various researches in nanoelectronics, fuel cell, and interfacial systems as a director of Supramolecular Technology for six years.

Grad Students

A complete listing of Dr. Jang's publication information can be found at: http://www.researcherid.com/rid/C-6847-2008

Sundaresan Jayaraman

Kolon Professor
Jayaraman

Contact Information

Office:
MRDC 4411
Phone:
404.894.2461
Fax:
404.894.9140

Dr. Sundaresan Jayaraman is Kolon Professor in the School of Materials Science and Engineering with a joint appointment in the Scheller College of Business at the Georgia Institute of Technology.

Selected Publications

Park, S., Chung, K., and Jayaraman, S., “Wearables: Fundamentals, Advancements and Roadmap for the Future”, in Sazonov, E., and Neuman, M., (Eds). Wearable Sensors, Elsevier, Amsterdam, September 2014, pp. 1-23.

 Park, S., and Jayaraman, S., “The Engineering Design of Intelligent Protective Textiles and Clothing”, in Kiekens, P., and Jayaraman, S., (Eds). Intelligent Textiles and Clothing for Ballistic and NBC Protection: Technology at the Cutting Edge, NATO Science for Peace and Security Series B: Physics and Biophysics, Springer, The Netherlands, January 2012, pp. 1-27.

Sundaramoorthy, S., Nallampalayam, P., and Jayaraman, S., “Air Permeability of Multilayer Woven Fabric Systems”, Journal of the Textile Institute, Vol. 102, No. 3, pp. 189-202, March 2011.

Park, S., and Jayaraman, S., “Smart Textile-based Wearable Biomedical Systems: A Transition Plan for Research to Reality,” IEEE Transactions on Information Technology in Biomedicine, Vol. 14, No. 1, pp. 86-92, 2010.

Park, S., and Jayaraman, S., “Wearable Sensor Networks: A Framework for Harnessing Ambient Intelligence”, Journal of Ambient Intelligence and Smart Environments, Vol. 1, No. 2, 117-128, 2009.

Jayaraman, S., Kiekens, P., and Grancaric, A., Intelligent Textiles for Personal Protection and Safety, IOS Press, Amsterdam, The Netherlands, 2006.

Park, S., and Jayaraman, S., “The Wearable Motherboard: the New Class of Adaptive and Responsive Textile Structures,” in Intelligent Textiles for Personal Protection and Safety (ed. S. Jayaraman, P. Kiekens and A. Grancaric), pp. 21-39, IOS Press, Amsterdam, The Netherlands, 2006.

Park, S., and Jayaraman, S., “Sensors and Wearable Technologies for Pervasive Healthcare”, in Pervasive Computing in Healthcare (eds. Bardram, J.E., Mihailidis, A., and Wan, D.), CRC Press, November 2006.

Park, S., and Jayaraman, S., “Intelligent Textiles for Personal Protection and Safety: The Emerging Discipline,” in Intelligent Textiles for Personal Protection and Safety (ed. S. Jayaraman, P. Kiekens and A. Grancaric), pp. 5-19, IOS Press, Amsterdam, The Netherlands, 2006.

Park, S., and Jayaraman, S., “e-Health and Quality of Life: The Role of the Wearable Motherboard,” in Wearable eHealth Systems for Personalised Health Management (ed. A. Lymberis and D. DeRossi), pp. 239-252, IOS Press, Amsterdam, The Netherlands, 2004.

Park, S., and Jayaraman, S., “Smart Textiles: Wearable Electronics Systems,” MRS Bulletin, Vol. 28, No. 8, August 2003, pp. 585-591.

Park, S., and Jayaraman, S., Enhancing the Quality of Life through Technology: The Role of Personalized Wearable Intelligent Information Infrastructure,” IEEE Engineering in Medicine and Biology, Vol. 23, No. 2, May/June 2003, pp. 41-48.

Park, S., and Jayaraman, S., “Adaptive and Responsive Textile Structures,” in Smart Fibers, Fabrics and Clothing: Fundamentals and Applications (ed. X. Tao), pp. 226-245, Woodhead Publishing Limited, Cambridge, UK, 2001.

Gopalsamy, C., Park, S., Rajamanickam, R., and Jayaraman, S., “The Wearable MotherboardÔ: The First Generation of Adaptive and Responsive Textile Structures (ARTS) For Medical Applications”, Virtual Reality, 4:152-168, 1999.

 Srinivasan, K., and Jayaraman, S., "The Changing Role of Information Technology in Manufacturing", IEEE Computer, vol. 32, No. 3, 40-49, 1999.

Rajamanickam, R., Park, S., and Jayaraman, S., "A Structured Methodology for the Design and Development of Textile Structures in a Concurrent Engineering Environment", Journal of the Textile Institute, vol. 89, Part 3, 44-62, 1998.

Jayaraman, S., "Computer-Aided Design and Manufacturing: A Textile-Apparel Perspective", in Advancements and Applications of Mechatronics Design in Textile Engineering, (Acar, M., Ed.), Kluwer Academic Publishers, The Netherlands, pp. 239-269, 1995.

Narayanan, S., and Jayaraman, S., "A Knowledge-Based Decision Support System for Apparel Enterprise Evaluation", Manufacturing Decision Support Systems, (eds: Parsaei, H.R., Kolli, S.S., and Hanley, T.), pp. 67-110, Chapman and Hall, London, UK, 1994.

Narasimhan, B., Navathe, S., and Jayaraman, S., "On Mapping ER and Relational Models Into OO Schemas", Lecture Notes in Computer Science #823 Entity-Relationship Approach - ER'93, (eds: Elmasri, R.A., Kouramajian, V., and Thalheim, B.,), Springer-Verlag, Berlin, Germany, pp. 402-413, 1994.

Narayanan, S., Olson, L.H., and Jayaraman, S., "AEEF: A Knowledge-Based Framework for Apparel Enterprise Evaluation", Expert Systems With Applications Journal, Vol. 7, No. 2, pp. 337-356, 1994.

Srinivasan, K., Dastoor, P.H., Parachuru, R., and Jayaraman, S., "FDAS: A Knowledge-based Framework for the Analysis of Defects in Woven Textile Structures", Journal of the Textile Institute, vol. 83, no. 3, pp. 431-448, 1992.

Malhotra, R., and Jayaraman, S., "An Integrated Framework for Enterprise Modeling", Journal of Manufacturing Systems, vol. 11, no. 6, pp. 426-441, 1992.

Srinivasan, K., Dastoor, P.H., and Jayaraman, S., "FDAS: Architecture and Implementation", Expert Systems: The International Journal of Knowledge Engineering, Vol. 9, No. 3, pp. 115-124, 1992.

Jayaraman, S., "Design and Development of an Architecture for Computer‑Integrated Manufacturing in the Apparel Industry, Part I: Basic Concepts and Methodology Selection", Textile Research Journal, vol. 60, no. 5, pp. 247-254, 1990.

Malhotra, R., and Jayaraman, S., "Design and Development of an Architecture for Computer‑Integrated Manufacturing in the Apparel Industry, Part II: The Function Model", Textile Research Journal, vol. 60, no. 6, pp. 351-359, 1990.

Patents

Jayaraman, S., Park, S., and Rajamanickam, R., Full-fashioned Weaving Process for Production of a Woven Garment with Intelligence Capability, US Patent No: 6,145,551 Issued November 14, 2000

Jayaraman, S., Park, S., Rajamanickam, R., and Gopalsamy, C., Fabric or Garment with Integrated Flexible Information Infrastructure, US Patent No: 6,381,482, Issued April 30, 2002.

Jayaraman, S., Gopalsamy, C., Rajamanickam, R., and Park, S., Method and Apparatus for Controlling Air Bag Deployment, US Patent No: 6,254,130, Issued July 3, 2001.

Jayaraman, S., and Park, S., Full-fashioned Garment with Sleeves Having Intelligence Capability, US Patent No: 6,315,009, Issued, November 13, 2001.

Jayaraman, S., and Park, S., Garment in Fabric Having Intelligence Capability, Serial No: 09/713,160, US Patent No: 6,474,367, Issued, November 5, 2002.

Jayaraman, S., Park, S., Rajamanickam, R., and Gopalsamy, C., Fabric or Garment With Integrated Flexible Information Infrastructure For Monitoring Vital Signs of Infants, US Patent No: 6,687,523, Issued February 3, 2004.

Jayaraman, S., and Park, S., A Novel Fabric-Based Sensor for Monitoring Vital Signs, US Patent No: 6,970,731, November 29, 2005.

Jayaraman, S., and Park, S., Method and Apparatus to Create Electrical Junctions for Information Routing in Textile Structures, US Patent No: 7,299,964, November 27, 2007.

Mo Li

Professor
Li

Contact Information

Office:
Love 365
Phone:
404.385.2472
Fax:
404.894.9140

Professor Mo Li received his Ph.D. in applied physics in 1994 from California Institute of Technology under the supervision of Professor William L. Johnson and Professor William A. Goddard. After a brief staying as a postdoctoral fellow at Caltech and the Argonne National Laboratory, he joined Morgan Stanley & Co. in New York. He came back to academia in 1998. From 1998 to 2001 he was an assistant professor at the Johns Hopkins University. Currently he is a professor at the Georgia Institute of Technology.

Grad Students

Research Interests

  • Field: Computational materials science and materials theory
  • Goal: To understand fundamental properties and processes of materials

Professor Li's research focuses on understanding fundamental properties and processes of materials, and predicting material behaviors. His current research focuses on the following areas: (a) phase transformations, (b) mechanical properties of materials, (c) statistical mechanics of non-equilibrium process and transformations in materials. Currently, he has the on-going research projects on (1) nanoscale materials, (2) metallic glasses, (3) equilibrium and metastable liquids, and (4) irradiation effects on materials.

These systems are characterized by metastability, small scales, and lack of long-range order. The unique difficulties presented in these materials challenge the conventional approaches developed for systems at equilibrium, with long-range order or nearly perfect or free of defects. To address the difficulties, his research employs theoretical and, in particular, computational methods. The primary purpose of the computational approach is to search for the information about the basic processes, mechanisms, and properties of these materials that are difficult or impossible to get by experiment alone, and to test and validate ideas and concepts for theoretical models.

The approaches used in his research are a blend of those from statistical physics, solid state physics, materials science, metallurgy, mechanics and computational methods. His research focuses on algorithm development, simulation, and theoretical analysis. 

  1. "Assessing the critical sizes for shear band formation in metallic glasses."
    Applied Physics Letters 91, 231905, 2007
  2. “Atomistic simulation of correlations between volumetric change and shear softening in amorphous metals." Physical Review B 75, 094101, 2007
  3. "Free volume evolution in amorphous solids subjected to mechanical
    deformation." Materials Transactions 48, 1816, 2007
  4. "Atomistic simulation of correlations between volumetric change and shear softening in amorphous metals." Physical Review B75, 094101, 2007 

David McDowell

Carter N. Paden Jr. Distinguished Chair in Metals Processing and Regents' Professor, Executive Director, Georgia Tech Institute for Materials
McDowell

Contact Information

Office:
RBI 415
Phone:
404.894.5128
Fax:
404-894-0186

Regents’ Professor and Carter N. Paden, Jr. Distinguished Chair in Metals Processing, Dave McDowell joined Georgia Tech in 1983 and holds a dual appointment in the GWW School of Mechanical Engineering and the School of Materials Science and Engineering. He served as Director of the Mechanical Properties Research Laboratory from 1992-2012. In 2012 he was named Founding Director of the Institute for Materials (IMat), one of Georgia Tech’s Interdisciplinary Research Institutes charged with fostering an innovation ecosystem for research and education.

  • Mechanics of materials and computational materials science
  • Simulation-based design of materials
  • Constitutive laws and multiscale modeling

1. Tschopp, M.A., Spearot, D.E., and McDowell, D.L.,“Influence of Grain Boundary Structure on Dislocation Nucleation in FCC Metals,” Dislocations in Solids, A Tribute to F.R.N. Nabarro, Ed. J.P. Hirth, Elsevier Publ., Vol. 14, 2008, pp. 43-139.
2. McDowell, D.L. and Olson, G.B., “Concurrent Design of Hierarchical Materials and Structures,” Scientific Modeling and Simulation (CMNS), Vol. 15, No. 1, 2008, p. 207.
3. McDowell, D.L., “Viscoplasticity of Heterogeneous Metallic Materials,” Materials Science and Engineering R: Reports, Vol. 62, Issue 3, 2008, pp. 67-123.
4. Derlet, P.M., Gumbsch, P., Hoagland, R., Li, J., McDowell, D.L., Van Swygenhoven, H., and Wang, J., “Atomistic simulations of dislocations in confined volumes,” MRS Bulletin., Vol. 34, No. 3, 2009, pp. 184-189.
5. Przybyla, C.P. and McDowell, D.L.,“Microstructure-Sensitive Extreme Value Probabilities for High Cycle Fatigue of Ni-Base Superalloy IN100,” International Journal of Plasticity, Vol. 26, No. 3, 2010, pp. 372-394.
6. Tucker, G.J., Zimmerman, J.A., and McDowell, D.L., “Shear Deformation Kinematics of Bicrystalline Grain Boundaries in Atomistic Simulations,” Modeling and Simulation in Materials Science and Engineering, Vol. 18, No. 1, 2010, 015002.
7. McDowell, D.L. and Dunne, F.P.E.,“Microstructure-Sensitive Computational Modeling of Fatigue Crack Formation,”International Journal of Fatigue, Special Issue on Emerging Frontiers in Fatigue, Vol. 32, No. 9, 2010, pp. 1521-1542.
8. McDowell, D.L., “A Perspective on Trends in Multiscale Plasticity,” International Journal of Plasticity, special issue in honor of David L. McDowell, Vol. 26, No. 9, 2010, pp. 1280-1309.
9. Austin, R.A. and McDowell, D.L., “A Viscoplastic Constitutive Model for Polycrystalline fcc Metals at Very High Rates of Deformation,” International of Plasticity, Vol. 27, No. 1, 2011, pp. 1-24.
10. Tucker, G.J. and McDowell, D.L., “Non-Equilibrium Grain Boundary Structure and Inelastic Deformation using Atomistic Simulations,”International Journal of Plasticity, Vol. 27, No. 6, 2011, pp. 841-857.
11. Mayeur, J.R., McDowell, D.L., and Bammann, D.J., “Dislocation-Based Micropolar Single Crystal Plasticity: Comparison of Multi- and Single-Criterion Theories,” Journal of Mechanics and Physics of Solids,  Vol. 59, No. 2, 2011, pp. 398-422.
12. Xiong, L., Tucker, G.J., McDowell, D.L., and Chen, Y.,“Coarse-Grained Atomistic Simulation of Dislocations,” Journal of the Mechanics and Physics of Solids, Vol. 59, 2011, pp. 160-177.
13. McDowell, D.L., Ghosh, S., and Kalidindi, S.R.,“Representation and Computational Structure-Property Relations of Random Media,” JOM, Vol. 63, No. 3, 2011, pp. 45-51.
14. Przybyla, C.P. and McDowell, D.L., “Simulated Microstructure-Sensitive Extreme Value Probabilities for High Cycle Fatigue of Duplex Ti-6Al-4V,” International Journal of Plasticity, Special Issue in Honor or Nobutada Ohno, Vol. 27, No. 12, 2011, pp. 1871-1895.
15. Mayeur, J.R., and McDowell, D.L., “Bending of Single Crystal Thin Films as Predicted by Micropolar Crystal Plasticity,” special issue of the Int. J. Engineering Science in memorium to C. Eringen, Vol. 49, 2011, pp. 1357-1366.
16. Przybyla, C.P. and McDowell, D.L., “Microstructure-Sensitive Extreme Value Probabilities of High Cycle Fatigue for Surface vs. Subsurface Crack Formation in Duplex Ti-6Al-4V,” Acta Materialia, Vol. 60, No. 1, 2012, pp. 293-305.
17. Tucker, G.J., Zimmerman, J.A., and McDowell, D.L., “Continuum Metrics for Deformation and Microrotation from Atomistic Simulations: Application to Grain Boundaries,” special issue of the Int. J. Engineering Science in memoriam to C. Eringen, Vol. 49, 2011, pp. 1424-1434.
18. Svoboda, J., Fischer, F.D., and McDowell, D.L, “Derivation of the Phase Field Equations from the Thermodynamic Extremal Principle,” Acta Materialia, Vol. 60, No. 1, 2012, pp. 396-406.
19. Patra, A. and McDowell, D.L., “Crystal Plasticity-Based Constitutive Modeling of Irradiated bcc Structures,” Philosophical Magazine, Vol. 92, No. 7, 2012, pp. 861-887.
20. Xiong, L., Deng, Q., Tucker, G.J., McDowell, D.L., and Chen, Y., “A Concurrent Scheme for Passing Dislocations from Atomistic to Continuum Regions,” Acta Materialia, Vol. 60, No. 3, 2012, pp. 899-913.
21. Tucker, G.J., Tiwari, S., Zimmerman, J.A., and McDowell, D.L., “Investigating the Deformation of Nanocrystalline Copper with Microscale Kinematic Metrics and Molecular Dynamics,” Journal of the Mechanics and Physics of Solids, Vol. 60, No. 3, 2012, pp. 471-486.
22. Austin, R.A. and McDowell, D.L., “Parameterization of a Rate-Dependent Model of Shock-Induced Plasticity for Copper, Nickel and Aluminum,” Int. J. Plasticity, Vol.32-33, 2012, pp. 134-154.
23. Wang, W., Zhong, Y., Lu, K., Lu, L, McDowell, D.L., and Zhu, T.,”Size Effects and Strength Fluctuation in Nanoscale Plasticity,” Acta Materialia, Vol. 60, 2012, pp. 3302-3309.
24. Austin, R.A., McDowell, D.L., and Benson, D.J., “Mesoscale Simulation of Shock Wave Propagation in Discrete Ni/Al Powder Mixtures,  J. Applied Physics, Vol. 111, No. 12, 2012, pp. 123511-123511-9.
25. Castelluccio, G.M. and McDowell, D.L., “Assessment of Small Fatigue Crack Growth Driving Forces in Single Crystals with and without Slip Bands, Int. Journal of Fracture, Vol. 176, No. 1, 2012, pp. 49-64.
26. Panchal, J.H., Kalidindi, S.R., and McDowell, D.L., “Key Computational Modeling Issues in ICME,” Computer-Aided Design, Vol. 45, No. 1, 2013, pp. 4–25.
27. Xiong, L., McDowell, D.L., and Chen, Y., “Nucleation and Growth of Dislocation Loops in Cu, Al and Si by a Coupled Atomistic-Continuum Method,” Scripta Materialia, Vol. 67, 2012, pp. 633-636.
28. Patra, A. and McDowell, D.L., “Continuum Modeling of Localized Deformation in Irradiated bcc Materials,” Journal of Nuclear Materials, Vol. 432, No. 1-3,  2013, pp. 414–427.
29. Tiwari, S., Tucker, G.J. and McDowell, D.L., “Simulated defect growth avalanches during elastic-plastic deformation of Nanocrystalline Cu,” Philosophical Magazine, Vol. 93, No. 5, 2013, pp. 478-498.
30. Castelluccio, G.M. and McDowell, D.L., “Effect of Annealing Twins on Crack Initiation under High Cycle Fatigue Conditions,” Journal of Materials Science, Vol. 48 no. 6, 2013, pp. 2376-2387. 
31. Mayeur, J.R. and McDowell, D.L., “An Evaluation of Higher-Order Single Crystal Strength Models for Constrained Thin Films Subjected to Simple Shear,” Journal of the Mechanics and Physics of Solids, Vol. 61, No. 9, 2013, pp. 1935-1954.
32. Clayton, J.D., Hartley, C.S., and McDowell, D.L., “The Missing Term in the Decomposition of Finite Deformation,” International Journal of Plasticity, Vol. 52, 2014, pp. 51-76.
33. Salajegheh, N. and McDowell, D.L., “Microstructure-Sensitive Weighted Probability Approach for Modeling Surface to Bulk Transition of High Cycle Fatigue Failures Dominated by Primary Inclusions,” International Journal of Fatigue, Vol. 59, 2014, pp. 188-199.
34. Xiong, L., McDowell, D.L., and Chen, Y., “Sub-THz Phonon Drag on Dislocations by Coarse-grained Atomistic Simulations,” International Journal of Plasticity, Vol. 55, 2014, pp. 268–278.
35. Ellis, B.D., DiPaolo, B.P., McDowell, D.L., and Zhou, M., “Experimental investigation and multiscale modeling of Ultra-High-Performance Concrete panels subject to blast loading,” Int. J. Impact Engineering, Vol. 69, 2014, pp. 95-103.
36. Austin, R.A., McDowell, D.L., and Benson, D.J., “The deformation and mixing of several Ni/Al powders under shock wave loading: effects of initial configuration,” Modeling and Simulation in Materials Science and Engineering, Vol. 22, 2014, p. 025018.
37. Castelluccio, G.M., and McDowell, D.L., “A Mesoscale Approach for Growth of 3D Microstructurally Small Fatigue Cracks in Polycrystals,” Int. J. Damage Mechanics, 2013, doi:10.1177/1056789513513916.
38. Narayanan, S., McDowell, D.L., and Zhu, T., “Crystal Plasticity Model for BCC Iron Atomistically Informed by Kinetics of Correlated Kinkpair Nucleation on Screw Dislocations,” Journal of the Mechanics and Physics of Solids, Vol. 65, 2014, pp. 54-68.
39. Mayeur, J.R. and McDowell, D.L., “A Comparison of Gurtin-Type and Micropolar Single Crystal Plasticity with Generalized Stresses,” International Journal of Plasticity, Vol. 57, 2014, pp. 29-51.
40. Castelluccio, G.M., Musinski, W.D. and McDowell, D.L., “Recent Development in Assessing Microstructure-Sensitive Early Stage Fatigue of Polycrystals,” Current Opinion in Solid State and Materials Science, http://dx.doi.org/10.1016/j.cossms.2014.03.001.
41. Castelluccio, G.M., and McDowell, D.L., "Mesoscale Modeling of Microstructurally Small Fatigue Cracks in Metallic Polycrystals," Mat. Sci. Eng. A, Vol. 598, No. 26, 2014, pp. 34-55.
42. Dong, X., McDowell, D.L., Kalidindi, S.R., and Jacob, K.I., “Dependence of mechanical properties on crystal orientation of semi-crystalline polyethylene structures,” Polymer, 2014, http://dx.doi.org/10.1016/j.polymer.2014.03.045
43. Patra, A., Zhu, T. and McDowell, D.L., “Constitutive equations for modeling non-Schmid effects in single crystal bcc-Fe at low and ambient temperatures,” Int. J. Plasticity, doi10.1016/j.ijplas.2014.03.016.

Naresh Thadhani

Professor & Chair
Thadhani

Contact Information

Office:
LOVE 286
Phone:
404.894.2651
Fax:
404-894-9140

Dr. Thadhani joined the faculty in the School of Materials Science and Engineering at Georgia Tech in September, 1992. His research focuses on studies of shock-induced physical, chemical, and mechanical changes for processing of novel materials and for probing the deformation and fracture response of metals, ceramics, polymers, and composites, subjected to high-rate impact loading conditions.

  • Processing of non-equilibrium phases and alloys with unique microstructures through shock-induced phase transformations and chemical reactions
  • Probing mechanical properties of metals, ceramics, polymer, and composite materials under dynamic high-pressure and high-strain-rate impact loading
  • Design, testing, and analysis of energy-releasing and energy-absorbing materials
  1. N.N. Thadhani, "Shock-induced Chemical Reactions and Synthesis of Materials," Progress in Materials Science, Vol. 27 (2), pp. 117-226, 1993.
  2. N.N. Thadhani, "Mechanisms of Shock-Assisted and Shock-Induced Chemical Reactions in Elemental Powder Mixtures," J. of Applied Physics, Vol. 76 (4), pp. 2129 -2138, 1994.
  3. N.N. Thadhani, R.A. Graham, T. Royal, E. Dunbar, M.U. Anderson, and G.T. Holman, Shock-induced Chemical Reactions in Ti-Si Powder Mixtures: Time-Resolved Pressure Measurements and Materials Analysis, Journal of Applied Physics, Vol. 82
    (3), (1997) pp. 1113-1128.
  4. Z.Q. Jin, K.H. Chen, J. Li, H. Zeng, S-F. Cheng, J.P. Liu, Z.L. Wang, N.N. Thadhani, “Shock compression response of magnetic nanocomposite powders,” ACTA MATER. 52: (8) 2147-2154 2004
  5. D. Eakins, N.N. Thadhani, Instrumented Anvil-On-Rod Impact Tests for Validating Applicability of Standard Strength Models to Transient Deformation States, Journal of Applied Physics, Vol. 100, No. 7, 2006, pp. 073503-1-8.
  6. D. Eakins and N.N. Thadhani, “Shock-Induced Reaction In A Flake Nickel + Spherical Aluminum Powder Mixture”, Journal of Applied Physics, V. 100, No. 11, 2006, pp. 113521-25.
  7. D. Eakins and N.N. Thadhani, “Discrete Particle Simulation of Shock Wave Propagation in a Binary Ni+Al Powder Mixture”, Journal of Applied Physics, 2007, Vol. 101 (200) 043508-18.
  8. M. Martin, T. Sekine, T. Kobayashi, L. Kecskes, and N.N. Thadhani, High Pressure Equation of State of a Zirconium-Based Bulk Metallic Glass, Metallurgical and Materials Transactions, Vol. 38A(11), (2007), pp. 2689-2696.
  9. L. Ferranti and N.N. Thadhani, “Dynamic Mechanical Behavior Characterization of Epoxy -Cast Al+Fe2O3 Thermite Mixtures,” Metallurgical and Materials Transactions, Vol. 38A(11), (2007), pp. 2697-2715.
  10. C. Dai, D.Eakins, and N.N. Thadhani, “Dynamic Densification Behavior of nano-iron powders under shock compression,” Journal of Applied Physics, 103 (9), 2008, Article No. 093503.
  11. D.E. Eakins and N.N. Thadhani, “The Shock Compression of Reactive Powder
    Mixtures,” Invited Review Article, International Materials Reviews, Vol. 54, No. 4, (2009), pp. 181-213.
  12. M. Martin, L. Meyer, L. Kecskes, N.N. Thadhani, “Uniaxial and biaxial compressive response of a bulk metallic glass composite over a range of strain rates and temperatures,” Journal of Materials Research, Vol. 24 (1), 2009, pp. 66-78.
  13. C. Dai and N.N. Thadhani, “Shock compression response of magnetic Fe3O4 nanoparticles,” Acta Materialia, Vol. 59, No. 2, 2011, pp. 785-796.
  14. E. Herbold, N.N. Thadhani, J.L. Jordan, “Effects of processing and powder size on microstructure and reactivity in arrested reactive milled Al+Ni,” Acta Materialia, Vol. 59 (17), October 2011 pp.6717-6728.
  15. C. Wehrenberg, S.G. Shankar, NN. Thadhani, “Mechanically induced phase transition in Fe4N during ball milling and shock compression of powders,” Materials Science and Engineering - A, Vol. 528, 13-14, pp. 4837-4839, 2011.