Year |
Citation |
Score |
2020 |
Lee K, Joshi K, Chaudhuri S, Stewart DS. Mirrored continuum and molecular scale simulations of deflagration in a nano-slab of HMX Combustion and Flame. 215: 352-363. DOI: 10.1016/J.Combustflame.2020.01.043 |
0.446 |
|
2019 |
Zhu J, Gao Z, Kowalik M, Joshi K, Ashraf C, Arefev MI, Schwab Y, Bumgardner C, Brown K, Burden DE, Zhang L, Klett J, Zhigilei LV, van Duin ACT, Li X. Unveiling carbon ring structure formation mechanisms in polyacrylonitrile-derived carbon fibers. Acs Applied Materials & Interfaces. PMID 31657889 DOI: 10.1021/Acsami.9B15833 |
0.345 |
|
2019 |
Joshi K, Arefev MI, Zhigilei LV. Generation and characterization of carbon fiber microstructures by atomistic simulations Carbon. 152: 396-408. DOI: 10.1016/J.Carbon.2019.06.014 |
0.369 |
|
2018 |
Joshi K, Chaudhuri S. Hot Spot Interaction with Hydroxyl-Terminated Polybutadiene Binder in Energetic Composites Journal of Physical Chemistry C. 122: 14434-14446. DOI: 10.1021/Acs.Jpcc.7B11155 |
0.348 |
|
2017 |
Joshi K, Chaudhuri S. Observation of deflagration wave in energetic materials using reactive molecular dynamics Combustion and Flame. 184: 20-29. DOI: 10.1016/J.Combustflame.2017.05.009 |
0.391 |
|
2016 |
Lee K, Joshi K, Chaudhuri S, Stewart DS. Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX. The Journal of Chemical Physics. 144: 184111. PMID 27179475 DOI: 10.1063/1.4948548 |
0.439 |
|
2016 |
Joshi KL, Losada M, Chaudhuri S. Intermolecular Energy Transfer Dynamics at a Hot Spot Interface in RDX Crystals. The Journal of Physical Chemistry. A. PMID 26741283 DOI: 10.1021/Acs.Jpca.5B06359 |
0.366 |
|
2016 |
Joshi K, Chaudhuri S. Empirical force field-based kinetic Monte Carlo simulation of precipitate evolution and growth in Al-Cu alloys Modelling and Simulation in Materials Science and Engineering. 24: 75012. DOI: 10.1088/0965-0393/24/7/075012 |
0.385 |
|
2015 |
Joshi KL, Chaudhuri S. Reactive simulation of the chemistry behind the condensed-phase ignition of RDX from hot spots. Physical Chemistry Chemical Physics : Pccp. 17: 18790-801. PMID 26123323 DOI: 10.1039/C5Cp00950B |
0.395 |
|
2014 |
Joshi KL, Psofogiannakis G, van Duin AC, Raman S. Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite. Physical Chemistry Chemical Physics : Pccp. 16: 18433-41. PMID 25070603 DOI: 10.1039/C4Cp02612H |
0.346 |
|
2013 |
Monti S, Corozzi A, Fristrup P, Joshi KL, Shin YK, Oelschlaeger P, van Duin AC, Barone V. Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field. Physical Chemistry Chemical Physics : Pccp. 15: 15062-77. PMID 23925839 DOI: 10.1039/C3Cp51931G |
0.33 |
|
2013 |
Huang L, Bandosz T, Joshi KL, van Duin AC, Gubbins KE. Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: a ReaxFF molecular dynamics simulation. The Journal of Chemical Physics. 138: 034102. PMID 23343263 DOI: 10.1063/1.4774332 |
0.355 |
|
2013 |
Joshi KL, Raman S, Van Duin ACT. Connectivity-based parallel replica dynamics for chemically reactive systems: From femtoseconds to microseconds Journal of Physical Chemistry Letters. 4: 3792-3797. DOI: 10.1021/Jz4019223 |
0.446 |
|
2013 |
Joshi KL, Van Duin ACT. Molecular dynamics study on the influence of additives on the high-temperature structural and acidic properties of ZSM-5 zeolite Energy and Fuels. 27: 4481-4488. DOI: 10.1021/Ef3020124 |
0.393 |
|
2012 |
Huang L, Joshi KL, van Duin AC, Bandosz TJ, Gubbins KE. ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal-organic framework. Physical Chemistry Chemical Physics : Pccp. 14: 11327-32. PMID 22796865 DOI: 10.1039/C2Cp41511A |
0.315 |
|
2012 |
Kumar S, Joshi KL, van Duin AC, Haque MA. Can amorphization take place in nanoscale interconnects? Nanotechnology. 23: 095701. PMID 22322399 DOI: 10.1088/0957-4484/23/9/095701 |
0.315 |
|
2011 |
Goken EG, Joshi KL, Russo MF, van Duin AC, Castleman AW. Effect of formic acid addition on water cluster stability and structure. The Journal of Physical Chemistry. A. 115: 4657-64. PMID 21506568 DOI: 10.1021/Jp1110746 |
0.3 |
|
2010 |
Joshi K, Duin ACTv, Jacob T. Development of a ReaxFF description of gold oxides and initial application to cold welding of partially oxidized gold surfaces Journal of Materials Chemistry. 20: 10431-10437. DOI: 10.1039/C0Jm01556C |
0.303 |
|
Show low-probability matches. |