“Influence of Carbon Equivalent Content on Phase Transformation during Intercritical Heating of Dual Phase Steels using Discrete Micro-scale Cellular Automata Model”, K. Vijay Reddy, C. Halder, S Pal, Transactions of the Indian Institute of Metals, Vol. 70(4), pp. 909–915 (2017)

”Mechanistic study of bending creep behaviour of bicrystal nanobeam” K. Vijay Reddy, M Meraj, S Pal, Computational Materials Science, 136, pp. 36-43, (2017)

”Contribution of Nb towards enhancement of glass forming ability and plasticity of Ni-Nb binary metallic glass” K. Vijay Reddy, S Pal, Journal of Non-Crystalline Solids, Vol. 471, pp. 243-250 (2017)

”Presence of retained crystalline seed necessary for bicrystal-liquid-bicrystal phase transformation”, K. Vijay Reddy, Md. Meraj, S. Pal, S Pal, Journal of Crystal Growth, Vol. 475, pp. 307-315 (2017)

”Influence of Grain Boundary Complexion on Deformation Mechanism of High Temperature Bending Creep Process of Cu Bicrystal”, K. Vijay Reddy, S Pal, Transactions of the Indian Institute of Metals, Vol. 71, pp. 1721 (2018)

”Effect of grain boundary complexions on the deformation behavior of Ni bicrystal during bending creep. ”, K. Vijay Reddy, S Pal, Journal of Molecular Modeling, Vol. 24, pp. 87 (2018)

”Influence of dislocations, twins, and stacking faults on the fracture behavior of nanocrystalline Ni nanowire under constant bending load: a molecular dynamics study”. K. Vijay Reddy, S Pal, Journal of Molecular Modeling, Vol. 89, pp. 277 (2018)

”Analysis of deformation behaviour of Al–Ni–Co thin film coated aluminium during nano-indentation: a molecular dynamics study”. K. Vijay Reddy, S Pal, Molecular Simulation, Vol. 44, pp. 1393 (2018)

”Structural evolution and dislocation behaviour during nano-rolling process of FCC metals: A molecular dynamics simulation based investigation ”, K. Vijay Reddy, S Pal, Journal of Applied Physics, 125, 095101 (2019)

”Dynamic probing of structural evolution of single crystal Fe during rolling process using atomistic simulation”. K. Vijay Reddy, S Pal (Corresponding Author), Steel Research International, Vol. 90(7), pp. 1800636, 2019

”Evaluation of glass forming ability of Zr–Nb alloy systems through liquid fragility and Voronoi cluster analysis.” K. Vijay Reddy, S Pal, Computational Materials Science, Vol. 158, pp. 324 (2019)

”Molecular dynamics simulation based investigation of strain induced crystallization of nickel metallic glasss” K. Vijay Reddy, Md. Meraj, S. Pal, Materials Chemistry and Physics, Vol. 237(1), pp. 121831 (2019)

”On the role of Cu-Zr amorphous intergranular films on crack growth retardation in nanocrystalline Cu during monotonic and cyclic loading conditions” S. Pal, K. Vijay Reddy, Chuang Deng, Computational Materials Science, Vol. 169, pp. 109112 (2019)

”Nano-rolling: Roller Speed-Dependent Morphological Evolution and Mechanical Properties Enhancement in Nanoscale Mg” K. Vijay Reddy, S. Pal, JOM: the journal of the Minerals, Metals Materials Society, Vol. 71(10), pp. 3407 (2019)

”Dynamic formation and destruction process of stacking fault tetrahedra in single crystal Ni during nanoscale cryo-rolling” K. Vijay Reddy, S. Pal, Philosophical Magazine Letters, Vol. 99(7), pp. 253 (2019)

”Intensification of shock damage through heterogeneous phase transition and dislocation loop formation due to presence of pre-existing line defects in single crystal Cu” K. Vijay Reddy, C. Deng, S. Pal, Journal of Applied Physics, Vol. 126, pp. 174302 (2019)

”Dynamic Characterization of Shock Response in Crystalline-Metallic Glass Nanolaminates.”, K. Vijay Reddy, C. Deng, S Pal, Acta Materialia, Vol. 164, pp. 347 (2019)

”Shock velocity-dependent elastic-plastic collapse of pre-existing stacking fault tetrahedron in single crystal Cu” K. Vijay Reddy, S. Pal, Computational Materials Science, Vol. 172, pp. 109390 (2019)

”Atomistic study of fracture behavior of metallic glass fiber reinforced metal-matrix nanocomposite during bending creep deformation process” K. Vijay Reddy, S. Pal, International Journal of Materials Research, Vol. 110(12), pp. 1142 (2019)

”Zr segregation in Ni–Zr alloy: implication on deformation mechanism during shear loading and bending creep” S. Pal, K. Vijay Reddy, D.E. Spearot, Journal of Materials Science, Vol. 55, pp. 6172 (2020)

”Accumulative roll bonding of Cu–Zr nanolaminate: Atomistic-scale investigation of structural evolution and grain orientation scatter dependence on rolling parameters” K. Vijay Reddy, S. Pal, Journal of Applied Physics, Vol. 127(15), pp. 154305 (2020)

”A potential insight into the serration behaviour of ?3n (n? 3) boundaries in Alloy 617” P Bhuyan, K. Vijay Reddy, S. K. Pradhan, S. Pal, R. Mitra, S. Mandal, Materials Chemistry and Physics, Vol. 248, pp. 122919 (2020)

”Influence of rolling temperature on the structural evolution and residual stress generation of nanocrystalline Nickel during nano-rolling process” K. Vijay Reddy, S. Pal, Computational Materials Science, Vol. 184, pp. 109935 (2020)

”Atomistic Simulation of Nano-Rolling Process for Nanocrystalline Tungsten” K. Vijay Reddy, S. Pal, JOM, Vol. 72, pp. 3977 (2020)

”The spectrum of atomic excess free volume in grain boundaries” S. Pal, K. Vijay Reddy, T. Yu, J. Xiao, C. Deng, Journal of Materials Science, Vol. 56, pp. 11511 (2021)

”Effect of variation in inclination angle of ?5 tilt grain boundary on the shock response of Ni bicrystals” T. Konnur, K. Vijay Reddy, S. Pal, Applied Physics A, Vol. 127, pp. 1 (2021)

”Recreating the shear band evolution in nanoscale metallic glass by mimicking the atomistic rolling deformation: a molecular dynamics study” K. Vijay Reddy, S. Pal, Journal of Molecular Modeling, Vol. 27(8), pp. 220 (2021)

”Cold-rolling induced residual stress effect on the shock response of crystalline metallic glass (Cu–CuZr) nanolaminates by molecular dynamics simulation” K. Vijay Reddy, S. Pal, Materials Chemistry and Physics, Vol. 272(12), pp. 125010 (2021)

”Impact of crystalline–amorphous interface on shock response of metallic glass Al90Sm10/crystalline Al nanolaminates” S Mishra, K. Vijay Reddy, S. Pal, Applied Physics A, Vol. 127, pp. 774 (2021)

”Amorphous Intergranular Film Effect on the Texture and Structural Evolution During Cold-Rolling of Nanocrystalline Ni-Zr Alloys” K. Vijay Reddy, T. J. Rupert, S. Pal, Metallurgical and Materials Transactions A, Vol. 53, pp. 1025 (2022)

”Atomistic Insight into the Texture Weakening and Shear-Shuffle Twinning Mechanism During Cold-Rolling of Magnesium” K. Vijay Reddy, S. Pal, JOM, Vol. 74, pp. 1387 (2022)

”Improving thermal stability and Hall-Petch breakdown relationship in nanocrystalline Cu: A molecular dynamics simulation study” S. Pal, K. Vijay Reddy, C. Deng, Materials Letters, Vol. 324, pp. 4 (2022)

”Dynamics of intermetallics formation in the Al/Ni reactive wetting system” E. Yousefi, K. Vijay Reddy, Y. Sun, M. Verma, M. Guo, N. Moelans, D. Seveno, Materialia, Vol. 27, pp. 101686 (2023)

”A molecular dynamic simulation-based study on nanoscale friction stir welding between copper and aluminium” R. K. Jha, K. Vijay Reddy, S. Pal, Molecular Simulation, pp. 1-12 (2023)

”Unravelling the evolution of oxides at the aluminum liquid/vapor interface” Y. Sun, K. Vijay Reddy (Corresponding Author), E. Yousefi, M. Verma, M. Guo, N. Moelans, D. Seveno, Acta Materialia, Vol. 266, pp. 119707 (2024)

”An atomic-level insight in the transition from non-reactive to reactive wetting using molecular dynamics simulation” E. Yousefi, K. Vijay Reddy (Corresponding Author), Y. Sun, M. Verma, M. Guo, N. Moelans, D. Seveno, Materialia, Vol. 38, pp. 102291 (2024)

”Aluminum droplets on Ni substrates: Evaluating high-temperature oxidation at the liquid/gas interface” Y. Sun, K. Vijay Reddy, D. He, E. Yousefi, M. Verma, M. Guo, N. Moelans, D. Seveno, Surfaces and Interfaces, Vol. 54, pp. 105287 (2024)

”Step flow mechanism in dissolutive wetting Cu/Ni systems” Y. Sun, Z Cheng, K. Vijay Reddy, D. He, E. Yousefi, M. Verma, M. Guo, N. Moelans, D. Seveno, Acta Materialia, Vol. 282, pp. 120519 (2024)

”Effects of oxidation and reactions on reactive wetting behavior in liquid Al/solid Ni system” Y. Sun, K. Vijay Reddy, D. He, E. Yousefi, M. Verma, M. Guo, N. Moelans, D. Seveno, Surfaces and Interfaces, Vol. 60, pp. 106026 (2025)

”Effect of structural modulation of B2 phase on the deformation mechanism in FeNi-CrCoAl high entropy alloy: an atomistic insight” K. Vijay Reddy (Corresponding Author), P Kumar, S Vashistha, S Pal, SK Singh, Materials Chemistry and Physics, Vol. 340, pp. 130840 (2025)

”Role of grain architecture in shock behavior and spalling behavior of Al metal- Al90Sm10 metallic glass nanolaminates” S. Mishra, K. Vijay Reddy, S Pal, Shock Waves, Vol. 35, pp. 361-380 (2025)

”Deformation Mechanisms and Predictive Modeling of AlCoCrFeNi HEA under Hot Working Conditions” S Vashistha, BK Mahanta, P Rawat, K. Vijay Reddy, VK Singh, SK Singh, Journal of Alloys and Compounds, Vol. 1035, pp. 181636 (2025)

”Correlation Between Hydride Formation, Strength Modulation, and Embrittlement in Nanocrystalline Mg: An Atomistic Perspective” K. Vijay Reddy, SK Singh, Metallurgical and Materials Transactions A, pp. 1-12 (2026)