Assessment of atomistic coarse-graining methods

被引：49

作者：

Chen, Youping ^{[1
]}

Zimmerman, Jonathan ^{[2
]}

Krivtsov, Anton ^{[3
]}

McDowell, David L. ^{[4
,5
]}

机构：

[1] Univ Florida, Dept Mech & Aerosp Engn, Gainesville, FL 32611 USA

[2] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94551 USA

[3] St Petersburg State Polytech Univ, Dept Theoret Mech, St Petersburg 199178, Russia

[4] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA

[5] Georgia Inst Technol, GW Woodruff Sch Mech Engn, Atlanta, GA 30332 USA

来源：

INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE | 2011年 / 49卷 / 12期

基金：

美国国家科学基金会; 美国能源部;

关键词：

Atomistic model; Coarse-graining; Statistical mechanics; Lattice dynamics; CONNECTING MOLECULAR-DYNAMICS; STATISTICAL-MECHANICS; MICROMORPHIC THEORY; BALANCE LAWS; SIMULATION; VIEWPOINT; TRANSPORT;

D O I：

10.1016/j.ijengsci.2011.03.018

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This paper reviews classical theories of coarse-graining and gives a short introduction to representative coarse-grained atomistic models that were developed based on structure reduction, an assumption of homogenous deformation, and field representation. The applicability and limitations of these coarse-grained models are analyzed on the basis of their theoretical frameworks as well as the coarse-graining methods they employ. (C) 2011 Elsevier Ltd. All rights reserved.

引用

页码：1337 / 1349

页数：13

共 50 条

[31] Coarse-graining of cohesive zone at interface of amorphous material
Park, Jaeshin
Han, Jihoon
Im, Seyoung
JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY, 2014, 28 (07) : 2787 - 2796
[32] Quantum dynamics using path integral coarse-graining
Musil, Felix
Zaporozhets, Iryna
Noe, Frank
Clementi, Cecilia
Kapil, Venkat
JOURNAL OF CHEMICAL PHYSICS, 2022, 157 (18)
[33] Deformation operators of spin networks and coarse-graining
Livine, Etera R.
CLASSICAL AND QUANTUM GRAVITY, 2014, 31 (07)
[34] Coarse-graining Hamiltonian systems using WSINDy
Messenger, Daniel A.
Burby, Joshua W.
Bortz, David M.
SCIENTIFIC REPORTS, 2024, 14 (01):
[35] Issues in the coarse-graining of dislocation energetics and dynamics
Rickman, JM
LeSar, R
SCRIPTA MATERIALIA, 2006, 54 (05) : 735 - 739
[36] On the Density Dependence of the Integral Equation Coarse-Graining Effective Potential
Dinpajooh, Mohammadhasan
Guenza, Marina G.
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 122 (13) : 3426 - 3440
[37] Coarse-graining of microscopic dynamics into a mesoscopic transient potential model
Uneyama, Takashi
PHYSICAL REVIEW E, 2020, 101 (03)
[38] Coarse-graining and symplectic non-squeezing
Kalogeropoulos, Nikolaos
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2022, 589
[39] Coarse-graining and the quantum-to-classical transition
Gallego, Miguel
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2022, 36 (20):
[40] Dissipative timescales from coarse-graining irreversibility
Cisneros, Freddy A.
Fakhri, Nikta
Horowitz, Jordan M.
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT, 2023, 2023 (07):

← 1 2 3 4 5 →