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Published in 2019 at "Applied Numerical Mathematics"
DOI: 10.1016/j.apnum.2019.06.017
Abstract: Abstract In this paper, we consider time marching numerical schemes to solve a two-mode phase field crystal model with face-centered-cubic ordering. We propose two type, linear, and unconditionally energy stable schemes by combining the recently…
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Keywords:
two mode;
numerical schemes;
field crystal;
phase field ... See more keywords
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Published in 2017 at "Physical Review E"
DOI: 10.1103/physreve.95.022105
Abstract: We describe a general method to model multicomponent ordered crystals using the phase-field-crystal (PFC) formalism. As a test case, a generic B2 compound is investigated. We are able to produce a line of either first-order…
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Keywords:
field;
phase field;
ordered crystals;
crystal model ... See more keywords
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Published in 2019 at "Catalysts"
DOI: 10.3390/catal9050484
Abstract: A stagnation flow reactor has been designed and characterized for both experimental and modeling studies of single-crystal model catalysts in heterogeneous catalysis. Using CO oxidation over a Pd(100) single crystal as a showcase, we have…
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Keywords:
stagnation;
stagnation flow;
single crystal;
crystal model ... See more keywords