The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
Concurrent coupling of length scales: Methodology and application
Abstract
A strategic objective of computational materials physics is the accurate description of specific materials on length scales approaching the meso and macroscopic. We report on progress towards this goal by describing a seamless coupling of continuum to statistical to quantum mechanics, involving an algorithm, implemented on a parallel computer, for handshaking between finite elements, molecular dynamics, and semiempirical tight binding. We illustrate and validate the methodology using the example of crack propagation in silicon.
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Citations
Cites
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Reversible multiple time scale molecular dynamics
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Tadmor, E. B., Ortiz, M., & Phillips, R. (1996) · Philosophical Magazine A · doi:10.1080/01418619608243000 · Cited by 1,507
Comparative study of silicon empirical interatomic potentials
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Coarse-grained molecular dynamics and the atomic limit of finite elements
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Self-citationOrbital formulation for electronic-structure calculations with linear system-size scaling
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Environment-dependent interatomic potential for bulk silicon
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Self-citationSpanning the continuum to quantum length scales in a dynamic simulation of brittle fracture
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Self-citationLinear system-size scaling methods for electronic-structure calculations
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Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
A bridging domain method for coupling continua with molecular dynamics
Xiao, S. P., & Belytschko, T. (2004) · Computer Methods in Applied Mechanics and Engineering · doi:10.1016/j.cma.2003.12.053 · Cited by 779
Heterogeneous Multiscale Methods: A Review
Weinan, E., Engquist, B., Li, X., Ren, W., & Vanden‐Eijnden, E. (2007) · Communications in Computational Physics · doi:10.4208/cicp.2007.v2.p367 · Cited by 687
Coupling of atomistic and continuum simulations using a bridging scale decomposition
Wagner, G. J., & Liu, W. K. (2003) · Journal of Computational Physics · doi:10.1016/s0021-9991(03)00273-0 · Cited by 659
Multiscale modeling and simulation of polymer nanocomposites
Zeng, Q. H., Yu, A. B., & Lu, G. Q. (2008) · Progress in Polymer Science · doi:10.1016/j.progpolymsci.2007.09.002 · Cited by 657
Metadata
- Authors
- Broughton, J. Q., Abraham, F. F., Bernstein, N., & Kaxiras, E.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1999-07-15
- Volume
- 60
- Issue
- 4
- Pages
- 2391-2403
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2078323060
- Cited by
- 658
- References
- 11
- FWCI
- 22.92
- Type
- journal article
- Language
- en
- Open access
- closed
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- Broughton, J. Q., Abraham, F. F., Bernstein, N., & Kaxiras, E. (1999). Concurrent coupling of length scales: Methodology and application. Physical Review B. https://doi.org/10.1103/physrevb.60.2391
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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