Matches in SemOpenAlex for { <https://semopenalex.org/work/W2799697778> ?p ?o ?g. }
Showing items 1 to 74 of
74
with 100 items per page.
- W2799697778 abstract "Outstanding developments of computers and theoretical methods enable us to investigate stability and reactivity of bulk materials and hetero interfaces in atomistic scale with high precision, although we still have limitations about time domain and system size in computations. If we can extensively extend the accessible regions about both time and size domains at the same time in atomistic simulations, it will be a further development in computer simulations for materials and devise designing. In order to realize such an extended computational tool, we have been developing a full atomistic kinetic Monte Carlo (kMC) code [1,2] which can easily incorporate kinetic date from first principles atomistic calculations. The characteristic points involved in the developed kMC code are 1) parallelization in domain decomposition scheme, 2) easy constructions of hetero structures and reaction events, 3) boundary conditions for periodic/closed/open-boundary are available, 4) Poisson solver for the electrostatic field and on-the-fly update of reaction barriers, and 5) direct counting of passing ions." @default.
- W2799697778 created "2018-05-17" @default.
- W2799697778 date "2018-01-01" @default.
- W2799697778 modified "2023-10-14" @default.
- W2799697778 title "(Invited) Full Atomistic Kinetic Monte Carlo with Direct Counting Approach for Ion Dynamics in Electrochemical Cells" @default.
- W2799697778 doi "https://doi.org/10.1149/ma2018-01/11/958" @default.
- W2799697778 hasPublicationYear "2018" @default.
- W2799697778 type Work @default.
- W2799697778 sameAs 2799697778 @default.
- W2799697778 citedByCount "0" @default.
- W2799697778 crossrefType "journal-article" @default.
- W2799697778 hasConcept C105795698 @default.
- W2799697778 hasConcept C112675119 @default.
- W2799697778 hasConcept C11413529 @default.
- W2799697778 hasConcept C121332964 @default.
- W2799697778 hasConcept C121864883 @default.
- W2799697778 hasConcept C134306372 @default.
- W2799697778 hasConcept C135628077 @default.
- W2799697778 hasConcept C147597530 @default.
- W2799697778 hasConcept C182310444 @default.
- W2799697778 hasConcept C185592680 @default.
- W2799697778 hasConcept C19499675 @default.
- W2799697778 hasConcept C198880260 @default.
- W2799697778 hasConcept C199360897 @default.
- W2799697778 hasConcept C2778770139 @default.
- W2799697778 hasConcept C33923547 @default.
- W2799697778 hasConcept C36503486 @default.
- W2799697778 hasConcept C41008148 @default.
- W2799697778 hasConcept C45374587 @default.
- W2799697778 hasConcept C45786274 @default.
- W2799697778 hasConcept C459310 @default.
- W2799697778 hasConcept C59593255 @default.
- W2799697778 hasConcept C62520636 @default.
- W2799697778 hasConcept C97355855 @default.
- W2799697778 hasConceptScore W2799697778C105795698 @default.
- W2799697778 hasConceptScore W2799697778C112675119 @default.
- W2799697778 hasConceptScore W2799697778C11413529 @default.
- W2799697778 hasConceptScore W2799697778C121332964 @default.
- W2799697778 hasConceptScore W2799697778C121864883 @default.
- W2799697778 hasConceptScore W2799697778C134306372 @default.
- W2799697778 hasConceptScore W2799697778C135628077 @default.
- W2799697778 hasConceptScore W2799697778C147597530 @default.
- W2799697778 hasConceptScore W2799697778C182310444 @default.
- W2799697778 hasConceptScore W2799697778C185592680 @default.
- W2799697778 hasConceptScore W2799697778C19499675 @default.
- W2799697778 hasConceptScore W2799697778C198880260 @default.
- W2799697778 hasConceptScore W2799697778C199360897 @default.
- W2799697778 hasConceptScore W2799697778C2778770139 @default.
- W2799697778 hasConceptScore W2799697778C33923547 @default.
- W2799697778 hasConceptScore W2799697778C36503486 @default.
- W2799697778 hasConceptScore W2799697778C41008148 @default.
- W2799697778 hasConceptScore W2799697778C45374587 @default.
- W2799697778 hasConceptScore W2799697778C45786274 @default.
- W2799697778 hasConceptScore W2799697778C459310 @default.
- W2799697778 hasConceptScore W2799697778C59593255 @default.
- W2799697778 hasConceptScore W2799697778C62520636 @default.
- W2799697778 hasConceptScore W2799697778C97355855 @default.
- W2799697778 hasLocation W27996977781 @default.
- W2799697778 hasOpenAccess W2799697778 @default.
- W2799697778 hasPrimaryLocation W27996977781 @default.
- W2799697778 hasRelatedWork W1502717288 @default.
- W2799697778 hasRelatedWork W2002980490 @default.
- W2799697778 hasRelatedWork W2003238696 @default.
- W2799697778 hasRelatedWork W2004402295 @default.
- W2799697778 hasRelatedWork W2046258663 @default.
- W2799697778 hasRelatedWork W2067032644 @default.
- W2799697778 hasRelatedWork W2068890722 @default.
- W2799697778 hasRelatedWork W2073329667 @default.
- W2799697778 hasRelatedWork W2106695780 @default.
- W2799697778 hasRelatedWork W2315378174 @default.
- W2799697778 isParatext "false" @default.
- W2799697778 isRetracted "false" @default.
- W2799697778 magId "2799697778" @default.
- W2799697778 workType "article" @default.