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- W2971548469 abstract "The varying degrees of short- and long-range order exhibited by multicomponent solids complicates a first-principles calculation of nondilute diffusion coefficients. Temporal and spatial variations in the local degree of order affect the migration barriers of individual hops and can result in strong correlations between successive hops that ultimately affect macroscopic transport coefficients. Here we report on a first-principles study of diffusion in Ni-rich Ni-Al alloys. We used cluster expansion Hamiltonians to describe the energies of the end states and migration barriers of each hop. Kinetic Monte Carlo simulations were performed to calculate macroscopic transport coefficients. Variations in the degree of ordering are shown to play a significant role in affecting diffusion coefficients. While Al has a higher mobility than Ni in the disordered Ni-rich fcc solid solution, it becomes significantly less mobile in the ordered $L{1}_{2}phantom{rule{4pt}{0ex}}{ensuremath{gamma}}^{ensuremath{'}}$ phase due to strong thermodynamic tendencies that keep Al trapped to disconnected sublattice sites." @default.
- W2971548469 created "2019-09-12" @default.
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- W2971548469 creator A5054898741 @default.
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- W2971548469 date "2019-09-03" @default.
- W2971548469 modified "2023-10-18" @default.
- W2971548469 title "Role of short- and long-range ordering on diffusion in Ni-Al alloys" @default.
- W2971548469 cites W1939255114 @default.
- W2971548469 cites W1964902482 @default.
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- W2971548469 cites W1970172058 @default.
- W2971548469 cites W1974306428 @default.
- W2971548469 cites W1977920810 @default.
- W2971548469 cites W1979067530 @default.
- W2971548469 cites W1979544533 @default.
- W2971548469 cites W1985534210 @default.
- W2971548469 cites W1986211266 @default.
- W2971548469 cites W1998141434 @default.
- W2971548469 cites W2000662948 @default.
- W2971548469 cites W2003704030 @default.
- W2971548469 cites W2004214438 @default.
- W2971548469 cites W2007395042 @default.
- W2971548469 cites W2012743673 @default.
- W2971548469 cites W2014019046 @default.
- W2971548469 cites W2014497244 @default.
- W2971548469 cites W2016023452 @default.
- W2971548469 cites W2016310680 @default.
- W2971548469 cites W2017884173 @default.
- W2971548469 cites W2018621422 @default.
- W2971548469 cites W2024827180 @default.
- W2971548469 cites W2027056898 @default.
- W2971548469 cites W2030582758 @default.
- W2971548469 cites W2031430816 @default.
- W2971548469 cites W2032916735 @default.
- W2971548469 cites W2034281393 @default.
- W2971548469 cites W2040172428 @default.
- W2971548469 cites W2041557453 @default.
- W2971548469 cites W2046505730 @default.
- W2971548469 cites W2053565979 @default.
- W2971548469 cites W2065293845 @default.
- W2971548469 cites W2068258375 @default.
- W2971548469 cites W2073715914 @default.
- W2971548469 cites W2075523080 @default.
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- W2971548469 cites W2079105963 @default.
- W2971548469 cites W2083222334 @default.
- W2971548469 cites W2084828962 @default.
- W2971548469 cites W2089409296 @default.
- W2971548469 cites W2090971213 @default.
- W2971548469 cites W2092144432 @default.
- W2971548469 cites W2092226431 @default.
- W2971548469 cites W2095921114 @default.
- W2971548469 cites W2097912463 @default.
- W2971548469 cites W2106530105 @default.
- W2971548469 cites W2110905433 @default.
- W2971548469 cites W2124060182 @default.
- W2971548469 cites W2143708346 @default.
- W2971548469 cites W2145074167 @default.
- W2971548469 cites W2145129657 @default.
- W2971548469 cites W2148901205 @default.
- W2971548469 cites W2158411114 @default.
- W2971548469 cites W2171754396 @default.
- W2971548469 cites W2271555928 @default.
- W2971548469 cites W2286487501 @default.
- W2971548469 cites W2314584210 @default.
- W2971548469 cites W2335446674 @default.
- W2971548469 cites W2403993858 @default.
- W2971548469 cites W2475129943 @default.
- W2971548469 cites W2491744848 @default.
- W2971548469 cites W2499376039 @default.
- W2971548469 cites W2524210935 @default.
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- W2971548469 cites W2751550999 @default.
- W2971548469 cites W2794552151 @default.
- W2971548469 cites W2800667007 @default.
- W2971548469 cites W2810012639 @default.
- W2971548469 cites W3103106650 @default.
- W2971548469 cites W4242694931 @default.
- W2971548469 cites W4244360209 @default.
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- W2971548469 doi "https://doi.org/10.1103/physrevmaterials.3.093402" @default.
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