111 lines
4.6 KiB
BibTeX
111 lines
4.6 KiB
BibTeX
@article{avdw:atat2,
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author="A. van de Walle",
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title="{{}}{M}ulticomponent multisublattice alloys, nonconfigurational entropy and other additions to the {A}lloy {T}heoretic {A}utomated {T}oolkit",
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journal="Calphad",
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volume=33,
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pages="266",
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avdwhtml={Download: \htmladdnormallink{[from eprint archive]}{http://arxiv.org/abs/0906.1608} \htmladdnormallink{[From doi]}{http://dx.doi.org/10.1016/j.calphad.2008.12.005}},
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year=2009
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}
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@article{avdw:atat,
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author="A. van de Walle and M. Asta and G. Ceder",
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title="{{}}{T}he {A}lloy {T}heoretic {A}utomated {T}oolkit: {A} User Guide",
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journal="Calphad",
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volume=26,
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pages="539",
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year="2002",
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avdwhtml={Download: \htmladdnormallink{[from e-print archive]}{http://arxiv.org/abs/cond-mat/0212159} \htmladdnormallink{[from ScienceDirect]}{http://dx.doi.org/10.1016/S0364-5916(02)80006-2}}
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}
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@article{avdw:maps,
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author="A. van de Walle and G. Ceder",
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title="Automating First-Principles Phase Diagram Calculations",
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journal="J. Phase Equilib.",
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volume=23,
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pages="348",
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year="2002",
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avdwhtml={Download: \htmladdnormallink{[from e-print archives]}{http://arXiv.org/abs/cond-mat/0201511} \htmladdnormallink{[PDF 1173 KB]}{papers/jpe_lores.pdf} \htmladdnormallink{[PDF 2701 KB]}{papers/jpe_hires.pdf} \htmladdnormallink{[from DOI]}{http://dx.doi.org/10.1361/105497102770331596} \htmladdnormallink{[paper errata (preprint ok)]}{papers/mapserr.pdf}}
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}
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@article{avdw:emc2,
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author="A. van de Walle and M. Asta",
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title="Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic properties and phase diagrams",
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journal="Model. Simul. Mater. Sc.",
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volume=10,
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pages="521",
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year="2002",
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avdwhtml={Download: \htmladdnormallink{[from e-print archives]}{http://arXiv.org/abs/cond-mat/0201473} \htmladdnormallink{[from MSMSE online]}{http://stacks.iop.org/MSMSE/10/521}}
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}
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@article{avdw:mcsqs,
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title="Efficient stochastic generation of Special Quasirandom Structures",
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author="A. van de Walle and P. Tiwary and M. M. de Jong and D. L. Olmsted and M. D. Asta and A. Dick and D. Shin and Y. Wang and L.-Q. Chen and Z.-K. Liu",
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journal="Calphad",
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volume=42,
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pages="13",
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year=2013,
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avdwhtml={Download: \htmladdnormallink{[From doi]}{http://dx.doi.org/10.1016/j.calphad.2013.06.006}}
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}
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@article{avdw:funstab,
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author="A. van de Walle and Q. Hong and S. Kadkhodaei and R. Sun",
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title="The free energy of mechanically unstable phases",
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journal="Nature Commun.",
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volume="6",
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pages="7559",
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year=2015,
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avdwhtml={Download: \htmladdnormallink{[DOI]}{http://dx.doi.org/10.1038/ncomms8559}}
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}
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@article{avdw:jomatat,
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author="A. van de Walle",
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title="{{}}{M}ethods for First-Principles Alloy Thermodynamics",
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journal="JOM - J. Min. Met. Mat. S.",
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volume="65",
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pages="1523",
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year=2013,
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avdwhtml={Download: \htmladdnormallink{[From doi]}{http://dx.doi.org/10.1007/s11837-013-0764-3}}
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}
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@article{avdw:gce,
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title="A complete representation of structure-property relationships in crystals",
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author="A. van de Walle",
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journal="Nat. Mater.",
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volume=7,
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pages="455",
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year="2008",
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avdwhtml={Download: \htmladdnormallink{[From doi]}{http://dx.doi.org/10.1038/nmat2200} \htmladdnormallink{[Featured on cover]}{http://www.nature.com/nmat/journal/v7/n6/index.html} \htmladdnormallink{[See associated ``News and Views'' piece by Gus Hart]}{http://dx.doi.org/10.1038/nmat2190}}
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}
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@article{avdw:smceo2,
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author="A. van de Walle and D. Ellis",
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title="First-principles thermodynamics of coherent interfaces in samarium-doped ceria nanoscale superlattices",
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journal="Phys. Rev. Lett.",
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volume=98,
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pages="266101",
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year="2007",
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avdwhtml={Download: \htmladdnormallink{[from PRL online]}{http://link.aps.org/abstract/PRL/v98/e266101}}
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}
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@article{cockayne:bayes,
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title="Building effective models from scarce but accurate data: Application to an alloy cluster expansion model",
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author="E. Cockayne and A. van de Walle",
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journal="Phys. Rev. B",
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volume=81,
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pages="012104",
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year=2010,
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avdwhtml={Download: \htmladdnormallink{[from eprint archive]}{http://arxiv.org/abs/0908.0659} \htmladdnormallink{[From doi]}{http://dx.doi.org/10.1103/PhysRevB.81.012104}}
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}
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@article{avdw:harm,
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title="Ab initio calculation of anisotropic interfacial excess free energies",
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author="A. van de Walle and C. Balaji Gopal and S. Demers and Q. Hong and A. Kowalski and L. Miljacic and G. Pomrehn and P. Tiwary",
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journal="Phys. Rev. B",
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volume="89",
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pages="184101",
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year=2014,
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avdwhtml={Download: \htmladdnormallink{[from eprint archive]}{http://arxiv.org/abs/1301.0168} \htmladdnormallink{[From doi]}{http://dx.doi.org/10.1103/PhysRevB.89.184101}}
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}
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