Alejandro Strachan
Alejandro Strachan
Reilly Professor of Materials Engineering, Purdue University
Potvrđena adresa e-pošte na
ReaxFFSiO reactive force field for silicon and silicon oxide systems
ACT Van Duin, A Strachan, S Stewman, Q Zhang, X Xu, WA Goddard
The Journal of Physical Chemistry A 107 (19), 3803-3811, 2003
Shock waves in high-energy materials: The initial chemical events in nitramine RDX
A Strachan, ACT van Duin, D Chakraborty, S Dasgupta, WA Goddard III
Physical Review Letters 91 (9), 098301, 2003
Thermal decomposition of RDX from reactive molecular dynamics
A Strachan, EM Kober, ACT Van Duin, J Oxgaard, WA Goddard
The Journal of chemical physics 122 (5), 2005
Molecular dynamics predictions of thermal and mechanical properties of thermoset polymer EPON862/DETDA
C Li, A Strachan
Polymer 52 (13), 2920-2928, 2011
Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments
SN Luo, TJ Ahrens, T Çağın, A Strachan, WA Goddard III, DC Swift
Physical Review B 68 (13), 134206, 2003
Molecular simulations of crosslinking process of thermosetting polymers
C Li, A Strachan
Polymer 51 (25), 6058-6070, 2010
Molecular scale simulations on thermoset polymers: A review
C Li, A Strachan
Journal of polymer science part B: polymer physics 53 (2), 103-122, 2015
Nonequilibrium melting and crystallization of a model Lennard-Jones system
SN Luo, A Strachan, DC Swift
The Journal of chemical physics 120 (24), 11640-11649, 2004
Atomic origin of ultrafast resistance switching in nanoscale electrometallization cells
N Onofrio, D Guzman, A Strachan
Nature materials 14 (4), 440-446, 2015
Molecular dynamics simulations and experimental studies of the thermomechanical response of an epoxy thermoset polymer
C Li, GA Medvedev, EW Lee, J Kim, JM Caruthers, A Strachan
Polymer 53 (19), 4222-4230, 2012
Atomistic simulations on multilayer graphene reinforced epoxy composites
C Li, AR Browning, S Christensen, A Strachan
Composites Part A: Applied Science and Manufacturing 43 (8), 1293-1300, 2012
Roadmap on multiscale materials modeling
E Van Der Giessen, PA Schultz, N Bertin, VV Bulatov, W Cai, G Csányi, ...
Modelling and Simulation in Materials Science and Engineering 28 (4), 043001, 2020
Coupled thermal and electromagnetic induced decomposition in the molecular explosive αHMX; a reactive molecular dynamics study
MA Wood, ACT Van Duin, A Strachan
The Journal of Physical Chemistry A 118 (5), 885-895, 2014
Role of strain on electronic and mechanical response of semiconducting transition-metal dichalcogenide monolayers: An ab-initio study
DM Guzman, A Strachan
Journal of Applied Physics 115 (24), 2014
Tailored reactivity of Ni+ Al nanocomposites: microstructural correlations
KV Manukyan, BA Mason, LJ Groven, YC Lin, M Cherukara, SF Son, ...
The Journal of Physical Chemistry C 116 (39), 21027-21038, 2012
Ultrafast chemistry under nonequilibrium conditions and the shock to deflagration transition at the nanoscale
MA Wood, MJ Cherukara, EM Kober, A Strachan
The Journal of Physical Chemistry C 119 (38), 22008-22015, 2015
Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics
S Han, ACT Van Duin, WA Goddard III, A Strachan
The Journal of Physical Chemistry B 115 (20), 6534-6540, 2011
Density functional theory and molecular dynamics studies of the energetics and kinetics of electroactive polymers: PVDF and P (VDF-TrFE)
H Su, A Strachan, WA Goddard III
Physical Review B 70 (6), 064101, 2004
Critical behavior in spallation failure of metals
A Strachan, T Çağın, WA Goddard III
Physical Review B 63 (6), 060103, 2001
Atomic-level view of inelastic deformation in a shock loaded molecular crystal
E Jaramillo, TD Sewell, A Strachan
Physical Review B 76 (6), 064112, 2007
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