DOI: 10.1063/1.2064607. Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials

Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials

10.1063/1.2064607

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A new treatment of quasistatic (reversible) multiscale processes in heterogeneous materials at nonzero temperature is presented. The system is coarse grained by means of a finite-element mesh. The coarse-grained free-energy functional (of the positions of the nodes of the mesh) appropriate to the thermodynamic-state variables controlled in the relevant process is minimized. Tests of the new procedure on a Lennard-Jonesium crystal yield thermomechanical properties in good agreement with the “exact” atomistic results.

Bibliography

Zhou, H., Feng, R., Diestler, D. J., & Zeng, X. C. (2005). Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials. The Journal of Chemical Physics, 123(16).

Authors 4

H. Zhou (first)
R. Feng (additional)
D. J. Diestler (additional)
X. C. Zeng (additional)

References 12 Referenced 4

10.1080/01418619108213953 / Philos. Mag. A (1991)
{'key': '2023080101541170700_c2', 'first-page': '1529', 'volume': '66', 'year': '1996', 'journal-title': 'Philos. Mag. A'} / Philos. Mag. A (1996)
10.1209/epl/i1998-00536-9 / Europhys. Lett. (1998)
10.1023/A:1026098010127 / J. Comput.-Aided Mater. Des. (2002)
10.1088/0965-0393/11/3/201 / Modell. Simul. Mater. Sci. Eng. (2003)
10.1007/s100350050009 / Int. J. Multiscale Comp. Eng. (2003)
10.1016/j.cma.2003.12.054 / Comput. Methods Appl. Mech. Eng. (2004)
10.1103/PhysRevB.66.184104 / Phys. Rev. B (2002)
10.1146/annurev.matsci.32.111901.153708 / Annu. Rev. Mater. Res. (2002)
{'edition': '2nd ed.', 'volume-title': 'Numerical Recipes in Fortran 77: The Art of Scientific Computing', 'year': '1996', 'key': '2023080101541170700_c10'} / Numerical Recipes in Fortran 77: The Art of Scientific Computing (1996)
10.1016/S0022-5096(98)00051-9 / J. Mech. Phys. Solids (1999)
{'volume-title': 'Computer Simulation of Liquids', 'year': '1987', 'key': '2023080101541170700_c12'} / Computer Simulation of Liquids (1987)

Dates

Type	When
Created	19 years, 10 months ago (Oct. 25, 2005, 6:01 p.m.)
Deposited	2 years, 1 month ago (July 31, 2023, 9:54 p.m.)
Indexed	1 month ago (July 30, 2025, 6:45 a.m.)
Issued	19 years, 10 months ago (Oct. 22, 2005)
Published	19 years, 10 months ago (Oct. 22, 2005)
Published Online	19 years, 10 months ago (Oct. 27, 2005)
Published Print	19 years, 10 months ago (Oct. 22, 2005)

Funders 0

None

BibTeX

@article{Zhou_2005, title={Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials}, volume={123}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2064607}, DOI={10.1063/1.2064607}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Zhou, H. and Feng, R. and Diestler, D. J. and Zeng, X. C.}, year={2005}, month=oct }

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