Non-equilibrium multiscale coarse-grained simulation of energetic molecular crystalline materials

被引：0
|
作者：
Izvekov, Sergey [1 ]
Sellers, Michael [1 ]
Barnes, Brian [1 ]
Larentzos, James [2 ]
Brennan, John [1 ]
Rice, Betsy [1 ]
机构：
[1] US Army Res Lab, Weap & Mat Res Directorate, Aberdeen Proving Ground, MD USA
[2] US Army Res Lab, Engility Corp, High Performance Technol Grp, Aberdeen Proving Ground, MD USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 250卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
370
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Coarse - grained non-equilibrium simulations of crystalline materials at nano scale
    Wang, X.
    Lee, J. D.
    PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART N-JOURNAL OF NANOMATERIALS NANOENGINEERING AND NANOSYSTEMS, 2010, 224 (1-2) : 55 - 68
  • [2] Coarse-grained model of entangled polymer melts in non-equilibrium
    A. Rakshit
    R. C. Picu
    Rheologica Acta, 2008, 47 : 1039 - 1048
  • [3] Coarse-grained model of entangled polymer melts in non-equilibrium
    Rakshit, A.
    Picu, R. C.
    RHEOLOGICA ACTA, 2008, 47 (09) : 1039 - 1048
  • [4] Coarse-grained Monte Carlo simulations of non-equilibrium systems
    Liu, Xiao
    Crocker, John C.
    Sinno, Talid
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (24):
  • [5] Mobility, response and transport in non-equilibrium coarse-grained models
    Jung, Gerhard
    JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL, 2024, 57 (09)
  • [6] Concurrent multiscale simulation and coarse-grained molecular dynamics.
    Rudd, RE
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 221 : U432 - U432
  • [7] Stresses in non-equilibrium fluids: Exact formulation and coarse-grained theory
    Krueger, Matthias
    Solon, Alexandre
    Demery, Vincent
    Rohwer, Christian M.
    Dean, David S.
    JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (08):
  • [8] Data-driven coarse-grained modeling of non-equilibrium systems
    Wang, Shu
    Ma, Zhan
    Pan, Wenxiao
    SOFT MATTER, 2021, 17 (26) : 6404 - 6412
  • [9] Cryptochrome magnetoreception: Time course of photoactivation from non-equilibrium coarse-grained molecular dynamics
    Ramsay, Jessica L.
    Schuhmann, Fabian
    Solov'yov, Ilia A.
    Kattnig, Daniel R.
    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2024, 26 : 58 - 69
  • [10] Path-space variational inference for non-equilibrium coarse-grained systems
    Harmandaris, Vagelis
    Kalligiannaki, Evangelia
    Katsoulakis, Markos
    Plechac, Petr
    JOURNAL OF COMPUTATIONAL PHYSICS, 2016, 314 : 355 - 383
12345