Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
about
Multiparadigm Modeling of Dynamical Crack Propagation in Silicon Using a Reactive Force FieldModeling the sorption dynamics of NaH using a reactive force fieldMolecular dynamics simulations of shock waves in oriented nitromethane single crystals: plane-specific effects.First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films.Carbon dioxide binary crystals via the thermal decomposition of RDX at high pressure.Ab Initio Calculations of the N-N Bond Dissociation for the Gas-phase RDX and HMXShock-induced melting of (100)-oriented nitromethane: Energy partitioning and vibrational mode heating.Shock-induced melting of (100)-oriented nitromethane: structural relaxation.Ab initio simulation of the equation of state and kinetics of shocked water.Predictions of melting, crystallization, and local atomic arrangements of aluminum clusters using a reactive force field.Simulated thermal decomposition and detonation of nitrogen cubane by molecular dynamics.Quantum mechanical corrections to simulated shock Hugoniot temperatures.Ab initio molecular dynamics simulation on the formation process of He@C₆₀ synthesized by explosion.Shock-induced transformations in crystalline RDX: a uniaxial constant-stress Hugoniostat molecular dynamics simulation study.Electronic structure and molecular dynamics of breaking the RO-NO2 bond.Study of thermal conductivity of ice clusters after impact deposition on the silica surfaces using the ReaxFF reactive force field.Imaging the C black formation by acetylene pyrolysis with molecular reactive force field simulations.1,3,5-trinitro-1,3,5-triazine decomposition and chemisorption on Al(111) surface: first-principles molecular dynamics study.ReaxFF reactive molecular dynamics on silicon pentaerythritol tetranitrate crystal validates the mechanism for the colossal sensitivity.Ionization and separation as a strategy for significantly enhancing the thermal stability of an instable system: a case for hydroxylamine-based salts relative to that for pure hydroxylamine.Atomistic simulations of the equation of state and hybridization of liquid carbon at a temperature of 6000 K in the pressure range of 1-25 GPa.ReaxFF based molecular dynamics simulations of ignition front propagation in hydrocarbon/oxygen mixtures under high temperature and pressure conditions.Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation.Anisotropic shock sensitivity in a single crystal δ-cyclotetramethylene tetranitramine: a reactive molecular dynamics study.Mesodynamics with implicit degrees of freedom.Shock initiated thermal and chemical responses of HMX crystal from ReaxFF molecular dynamics simulation.Study on the anisotropic response of condensed-phase RDX under repeated stress wave loading via ReaxFF molecular dynamics simulation.A method for fast safety screening of explosives in terms of crystal packing and molecular stability.The theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. I. The reactive force field ReaxFF(HBN) development.Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics.Voltage equilibration for reactive atomistic simulations of electrochemical processes.Nonreactive molecular dynamics force field for crystalline hexahydro-1,3,5-trinitro-1,3,5 triazine.Cluster evolution during the early stages of heating explosives and its relationship to sensitivity: a comparative study of TATB, β-HMX and PETN by molecular reactive force field simulations.Mesoscale simulations of shockwave energy dissipation via chemical reactions.Front propagation in a bistable system: how the energy is released.Nanobubble collapse on a silica surface in water: billion-atom reactive molecular dynamics simulations.Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision.Molecular Dynamics Characterization of the Response of Ni/Al Nanolaminates Under Dynamic LoadingMolecular dynamics simulation of dynamical response of perfect and porousNi∕Alnanolaminates under shock loadingAtomistic simulations of aromatic polyurea and polyamide for capacitive energy storage
P2860
Q27346273-2BE4B222-BFFE-4A0D-969F-C6709692492BQ28278342-66F3B044-A284-4885-AB04-E0DFF0565BF3Q38425420-971B47A2-BEC3-44CF-9106-EEF71D63ECA0Q40959582-1ADC3FB9-16B5-44D8-902D-58EC7FC75073Q41671081-93B506A7-F693-4605-951A-DB385703D39DQ42107823-92F54547-C489-48C7-836F-B035EF3D8B7DQ43225908-41D6A162-DD02-47AF-8EE7-19F3B2023624Q43289702-F27DFBD9-79ED-4EE0-B719-11E2EF10064BQ44304715-CA5600C1-C064-4A82-B0D0-B723294EF7D5Q44854563-845DCA73-0CB5-476F-BF50-38B56D6BD476Q44871717-AD549C75-DC13-4782-85D1-4E64F4623E79Q45219715-0349BFC3-1FE7-4E51-A535-0AA580A63EEAQ45892487-0001CC74-673F-4124-8C04-A30ABF75465BQ45923212-1B5C42A0-1CCC-45EC-A2A2-86B74ED9604CQ45946467-D5814236-910F-42DE-BD9C-7E1102B20C73Q46623593-C4CFB453-5BEF-4C0A-BC1A-C173C9C515A3Q46746558-175422A5-5CC1-40B2-BE96-04B14D3D758AQ46762913-AAAB1D4A-AC73-4DCE-9BCD-E7D2B430D804Q46938403-5FECD2BB-5C3D-4136-A3A6-0E11F25869F0Q47350134-DE20FA34-CD85-4FA9-AF28-36482F2114CEQ47582888-0CEC62C0-941E-4F8A-BFBB-DDB954B61019Q48048546-B4868395-39CC-49D1-8F3E-7BADB3466FC6Q50891512-AFBA045F-41A7-4315-AC73-1C24615923E7Q50954466-A330C060-5A01-4B98-AD4D-1516131EF7CDQ51053931-7FBCA690-B1B0-4F77-8FE5-D286996445E3Q51081322-9B8040AA-6593-4C6B-8AA7-AD9BCC2A0264Q51182434-1880A5E3-2AD6-4566-8D3A-A5B0A2687EFDQ51273379-15891752-58FC-4365-AF7D-9E5C8D157394Q51293815-D0659424-DD9E-425C-89A7-E4948480FDD5Q51574764-A28688C2-4E12-47E0-AC23-8A1239631ADAQ51817043-41FB5A86-CC86-4931-A8B8-D9FEDDFDFC22Q51945695-67C55A6B-A5E5-4455-9CF7-F57CFE908510Q53263230-9AE1C4FA-8259-45E7-B265-C3A847FB34E6Q53303058-A8F27BBA-42B3-4B23-BFAD-FFD4F1E640A9Q53402186-6E24FB95-6B9C-4916-A2FA-98D91F43016BQ53670796-DF064706-09D4-481C-A0B9-827B6874AB3BQ54690801-2E880634-8953-40FD-B823-0E85142AAADDQ57230634-6FA9E65C-F656-4AAE-999E-3A934EE61688Q57230635-CECEE0C6-D615-45D2-8935-6D9318417B05Q57436810-5FF32CC3-AD4F-45AB-AEB2-11D66EDC8F4F
P2860
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
description
2003 nî lūn-bûn
@nan
2003 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@ast
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@en
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@nl
type
label
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@ast
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@en
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@nl
prefLabel
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@ast
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@en
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@nl
P2093
P1476
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX
@en
P2093
Debashis Chakraborty
Siddharth Dasgupta
William A. Goddard
P2860
P356
10.1103/PHYSREVLETT.91.098301
P407
P577
2003-08-28T00:00:00Z