Matches in SemOpenAlex for { <https://semopenalex.org/work/W3097736274> ?p ?o ?g. }
- W3097736274 abstract "Thermal transport through nanosystems is central to numerous processes in chemistry, material sciences, and electrical and mechanical engineering, with classical molecular dynamics as the key simulation tool. Here, we focus on thermal junctions with a molecule bridging two solids that are maintained at different temperatures. The classical steady state heat current in this system can be simulated in different ways, either at the interfaces with the solids, which are represented by thermostats, or between atoms within the conducting molecule. We show that while the latter, intramolecular definition feasibly converges to the correct limit, the molecule–thermostat interface definition is more challenging to converge to the correct result. The problem with the interface definition is demonstrated by simulating heat transport in harmonic and anharmonic one-dimensional chains illustrating unphysical effects such as thermal rectification in harmonic junctions." @default.
- W3097736274 created "2020-11-09" @default.
- W3097736274 creator A5001372401 @default.
- W3097736274 creator A5007831957 @default.
- W3097736274 creator A5069795012 @default.
- W3097736274 date "2020-11-02" @default.
- W3097736274 modified "2023-09-27" @default.
- W3097736274 title "On the definitions and simulations of vibrational heat transport in nanojunctions" @default.
- W3097736274 cites W1692302176 @default.
- W3097736274 cites W1711860668 @default.
- W3097736274 cites W1967835431 @default.
- W3097736274 cites W1972885468 @default.
- W3097736274 cites W1983774107 @default.
- W3097736274 cites W1984915060 @default.
- W3097736274 cites W1988388205 @default.
- W3097736274 cites W1992600063 @default.
- W3097736274 cites W1992880075 @default.
- W3097736274 cites W1998421800 @default.
- W3097736274 cites W2005022986 @default.
- W3097736274 cites W2017686863 @default.
- W3097736274 cites W2020508908 @default.
- W3097736274 cites W2027578254 @default.
- W3097736274 cites W2049971708 @default.
- W3097736274 cites W2058274078 @default.
- W3097736274 cites W2078695144 @default.
- W3097736274 cites W2105367824 @default.
- W3097736274 cites W2147683655 @default.
- W3097736274 cites W2161733128 @default.
- W3097736274 cites W2164973341 @default.
- W3097736274 cites W2166475097 @default.
- W3097736274 cites W2179839775 @default.
- W3097736274 cites W2313802981 @default.
- W3097736274 cites W2324214777 @default.
- W3097736274 cites W2519393561 @default.
- W3097736274 cites W2556138631 @default.
- W3097736274 cites W2581993103 @default.
- W3097736274 cites W2594206799 @default.
- W3097736274 cites W2594623724 @default.
- W3097736274 cites W2784474427 @default.
- W3097736274 cites W2794810645 @default.
- W3097736274 cites W2883564228 @default.
- W3097736274 cites W2890943016 @default.
- W3097736274 cites W2891710068 @default.
- W3097736274 cites W2896964597 @default.
- W3097736274 cites W2910907229 @default.
- W3097736274 cites W2922617079 @default.
- W3097736274 cites W2947845453 @default.
- W3097736274 cites W2959087041 @default.
- W3097736274 cites W2963742024 @default.
- W3097736274 cites W2968494009 @default.
- W3097736274 cites W2971404905 @default.
- W3097736274 cites W2975029942 @default.
- W3097736274 cites W2977007955 @default.
- W3097736274 cites W2977385318 @default.
- W3097736274 cites W2979291146 @default.
- W3097736274 cites W2987484102 @default.
- W3097736274 cites W2995808277 @default.
- W3097736274 cites W3009659555 @default.
- W3097736274 cites W3023457571 @default.
- W3097736274 cites W3082343872 @default.
- W3097736274 cites W3098650931 @default.
- W3097736274 cites W3098926445 @default.
- W3097736274 cites W3099049764 @default.
- W3097736274 cites W3100655384 @default.
- W3097736274 cites W3100721674 @default.
- W3097736274 cites W3101746025 @default.
- W3097736274 cites W3102465934 @default.
- W3097736274 cites W3102804826 @default.
- W3097736274 cites W3103139054 @default.
- W3097736274 cites W3104091267 @default.
- W3097736274 cites W3104792176 @default.
- W3097736274 cites W3104921563 @default.
- W3097736274 cites W3105191135 @default.
- W3097736274 cites W3105629638 @default.
- W3097736274 cites W3099684667 @default.
- W3097736274 doi "https://doi.org/10.1063/5.0027414" @default.
- W3097736274 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33167626" @default.
- W3097736274 hasPublicationYear "2020" @default.
- W3097736274 type Work @default.
- W3097736274 sameAs 3097736274 @default.
- W3097736274 citedByCount "4" @default.
- W3097736274 countsByYear W30977362742021 @default.
- W3097736274 crossrefType "journal-article" @default.
- W3097736274 hasAuthorship W3097736274A5001372401 @default.
- W3097736274 hasAuthorship W3097736274A5007831957 @default.
- W3097736274 hasAuthorship W3097736274A5069795012 @default.
- W3097736274 hasBestOaLocation W30977362742 @default.
- W3097736274 hasConcept C121332964 @default.
- W3097736274 hasConcept C121864883 @default.
- W3097736274 hasConcept C147724859 @default.
- W3097736274 hasConcept C159467904 @default.
- W3097736274 hasConcept C165801399 @default.
- W3097736274 hasConcept C174348530 @default.
- W3097736274 hasConcept C185592680 @default.
- W3097736274 hasConcept C187819001 @default.
- W3097736274 hasConcept C204530211 @default.
- W3097736274 hasConcept C31258907 @default.
- W3097736274 hasConcept C32909587 @default.
- W3097736274 hasConcept C41008148 @default.
- W3097736274 hasConcept C50942859 @default.