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.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Nosé–Hoover chains: The canonical ensemble via continuous dynamics
Martyna, G. J., Klein, M. L., & Tuckerman, M. (1992) · The Journal of Chemical Physics · doi:10.1063/1.463940 · Cited by 5,924
Computer simulation of local order in condensed phases of silicon
Stillinger, F. H., & Weber, T. A. (1985) · Physical Review B · doi:10.1103/physrevb.31.5262 · Cited by 5,302
Reversible multiple time scale molecular dynamics
Tuckerman, M., Berne, B. J., & Martyna, G. J. (1992) · The Journal of Chemical Physics · doi:10.1063/1.463137 · Cited by 3,592
Quasicontinuum analysis of defects in solids
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
Balamane, H., Halicioglu, T., & Tiller, W. A. (1992) · Physical Review B · doi:10.1103/physrevb.46.2250 · Cited by 484
Coarse-grained molecular dynamics and the atomic limit of finite elements
Rudd, R. E., & Broughton, J. Q. (1998) · Physical Review B · doi:10.1103/physrevb.58.r5893 · Cited by 473
Self-citationOrbital formulation for electronic-structure calculations with linear system-size scaling
Mauri, F., Galli, G., & Car, R. (1993) · Physical Review B · doi:10.1103/physrevb.47.9973 · Cited by 459
Environment-dependent interatomic potential for bulk silicon
Bazant, M. Z., Kaxiras, E., & Justo, J. F. (1997) · Physical Review B · doi:10.1103/physrevb.56.8542 · Cited by 419
Self-citationSpanning the continuum to quantum length scales in a dynamic simulation of brittle fracture
ABRAHAM, F. F., Broughton, J. Q., Bernstein, N., & Kaxiras, E. (1998) · Europhysics Letters (EPL) · doi:10.1209/epl/i1998-00536-9 · Cited by 316
Self-citationLinear system-size scaling methods for electronic-structure calculations
Ordejón, P., Drabold, D. A., Martin, R. M., & Grumbach, M. P. (1995) · Physical Review B · doi:10.1103/physrevb.51.1456 · Cited by 279
Simulation of silicon clusters and surfaces via tight-binding molecular dynamics
Khan, F. S., & Broughton, J. Q. (1989) · Physical review. B, Condensed matter · doi:10.1103/physrevb.39.3688 · Cited by 101
Self-citation
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
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
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).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
