Matches in SemOpenAlex for { <https://semopenalex.org/work/W4224124782> ?p ?o ?g. }
- W4224124782 endingPage "111140" @default.
- W4224124782 startingPage "111140" @default.
- W4224124782 abstract "In this work we present a parallel algorithm for the Concurrent Atomistic Continuum (CAC) formulation that can be integrated into existing molecular dynamics codes. The CAC methodology is briefly introduced and its parallel implementation in LAMMPS is detailed and then demonstrated through benchmarks that compare CAC simulation results with corresponding all-MD (molecular dynamics) results. The parallel efficiency of the algorithm is demonstrated when simulating systems represented by both atoms and finite elements. The verification benchmarks include dynamic crack propagation and branching in a Si single crystal, wave propagation and scattering in a Si phononic crystal, and phonon transport through the phase interface in a PbTe/PbSe heteroepitaxial system. In each of these benchmarks the CAC algorithm is shown to be in good agreement with MD-only models. This parallel CAC algorithm thus offers one of the first scalable multiscale material simulation methodologies that relies solely on atomic-interaction models." @default.
- W4224124782 created "2022-04-19" @default.
- W4224124782 creator A5029266810 @default.
- W4224124782 creator A5035644810 @default.
- W4224124782 creator A5062477965 @default.
- W4224124782 creator A5064842058 @default.
- W4224124782 creator A5068520992 @default.
- W4224124782 creator A5072447085 @default.
- W4224124782 date "2022-08-01" @default.
- W4224124782 modified "2023-09-23" @default.
- W4224124782 title "A parallel algorithm for the concurrent atomistic-continuum methodology" @default.
- W4224124782 cites W1825939028 @default.
- W4224124782 cites W1876455947 @default.
- W4224124782 cites W1965555338 @default.
- W4224124782 cites W1967248693 @default.
- W4224124782 cites W1975679469 @default.
- W4224124782 cites W1982001674 @default.
- W4224124782 cites W1983146511 @default.
- W4224124782 cites W1984575847 @default.
- W4224124782 cites W1987066794 @default.
- W4224124782 cites W1987193446 @default.
- W4224124782 cites W1988556961 @default.
- W4224124782 cites W1993458680 @default.
- W4224124782 cites W2002113218 @default.
- W4224124782 cites W2002843705 @default.
- W4224124782 cites W2010931679 @default.
- W4224124782 cites W2011378702 @default.
- W4224124782 cites W2018347659 @default.
- W4224124782 cites W2019040641 @default.
- W4224124782 cites W2019465613 @default.
- W4224124782 cites W2020402092 @default.
- W4224124782 cites W2022406239 @default.
- W4224124782 cites W2024115886 @default.
- W4224124782 cites W2030086321 @default.
- W4224124782 cites W2033086537 @default.
- W4224124782 cites W2037782625 @default.
- W4224124782 cites W2038049508 @default.
- W4224124782 cites W2045700420 @default.
- W4224124782 cites W2048478839 @default.
- W4224124782 cites W2060769690 @default.
- W4224124782 cites W2061677681 @default.
- W4224124782 cites W2070986686 @default.
- W4224124782 cites W2078794610 @default.
- W4224124782 cites W2079328485 @default.
- W4224124782 cites W2082135918 @default.
- W4224124782 cites W2083042791 @default.
- W4224124782 cites W2094124113 @default.
- W4224124782 cites W2094210753 @default.
- W4224124782 cites W2140482816 @default.
- W4224124782 cites W2150492737 @default.
- W4224124782 cites W2151898625 @default.
- W4224124782 cites W2194025190 @default.
- W4224124782 cites W241997192 @default.
- W4224124782 cites W2463757470 @default.
- W4224124782 cites W2518621689 @default.
- W4224124782 cites W2519576378 @default.
- W4224124782 cites W2530940228 @default.
- W4224124782 cites W2551112132 @default.
- W4224124782 cites W2608159143 @default.
- W4224124782 cites W2610434722 @default.
- W4224124782 cites W2610670972 @default.
- W4224124782 cites W2613128592 @default.
- W4224124782 cites W2621781469 @default.
- W4224124782 cites W2772023309 @default.
- W4224124782 cites W2900671909 @default.
- W4224124782 cites W2917352448 @default.
- W4224124782 cites W2922938948 @default.
- W4224124782 cites W2936163329 @default.
- W4224124782 cites W2943605182 @default.
- W4224124782 cites W2973037596 @default.
- W4224124782 cites W3199711906 @default.
- W4224124782 cites W3217270602 @default.
- W4224124782 cites W4238661429 @default.
- W4224124782 doi "https://doi.org/10.1016/j.jcp.2022.111140" @default.
- W4224124782 hasPublicationYear "2022" @default.
- W4224124782 type Work @default.
- W4224124782 citedByCount "2" @default.
- W4224124782 countsByYear W42241247822022 @default.
- W4224124782 countsByYear W42241247822023 @default.
- W4224124782 crossrefType "journal-article" @default.
- W4224124782 hasAuthorship W4224124782A5029266810 @default.
- W4224124782 hasAuthorship W4224124782A5035644810 @default.
- W4224124782 hasAuthorship W4224124782A5062477965 @default.
- W4224124782 hasAuthorship W4224124782A5064842058 @default.
- W4224124782 hasAuthorship W4224124782A5068520992 @default.
- W4224124782 hasAuthorship W4224124782A5072447085 @default.
- W4224124782 hasConcept C11413529 @default.
- W4224124782 hasConcept C120373497 @default.
- W4224124782 hasConcept C121332964 @default.
- W4224124782 hasConcept C121864883 @default.
- W4224124782 hasConcept C173608175 @default.
- W4224124782 hasConcept C41008148 @default.
- W4224124782 hasConcept C459310 @default.
- W4224124782 hasConcept C48044578 @default.
- W4224124782 hasConcept C59593255 @default.
- W4224124782 hasConcept C62520636 @default.
- W4224124782 hasConcept C77088390 @default.
- W4224124782 hasConceptScore W4224124782C11413529 @default.