Computing binary alloy phase diagrams with explicit configurational and vibrational entropy | Paper Citation Record

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This paper cites Y., and Reinhardt, A.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Y., and Reinhardt, A

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This paper cites The Martensitic Transformation in the Iron-Nickel System.JOM, 8(10), 1393–1401, 1956.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy The Martensitic Transformation in the Iron-Nickel System.JOM, 8(10), 1393–1401, 1956

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This paper cites An insight into using dft data for cal- phad modeling of solid phases in the third generation of calphad databases, a case study for al.Calphad,65, 79–85, 2019.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy An insight into using dft data for cal- phad modeling of solid phases in the third generation of calphad databases, a case study for al.Calphad,65, 79–85, 2019

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This paper cites Direct dynami- cal calculation of entropy and free energy by adia- batic switching.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Direct dynami- cal calculation of entropy and free energy by adia- batic switching.Phys

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This paper cites Optimized Free-Energy Evaluation Using a Single Reversible-Scaling Simu- lation.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Optimized Free-Energy Evaluation Using a Single Reversible-Scaling Simu- lation.Phys

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Observation 72ccb783-3d90-407b-a10d-1fc91115ec03 · outbound

This paper cites Ab ini- tio up to the melting point: Anharmonicity and vacancies in aluminum.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Ab ini- tio up to the melting point: Anharmonicity and vacancies in aluminum.Phys

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This paper cites Nonequi- librium free-energy calculation of solids using LAMMPS.Comput.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Nonequi- librium free-energy calculation of solids using LAMMPS.Comput

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This paper cites Auto- mated free-energy calculation from atomistic sim- ulations.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Auto- mated free-energy calculation from atomistic sim- ulations.Phys

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This paper cites Atomic cluster expansion for accurate and transferable interatomic poten- tials.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Atomic cluster expansion for accurate and transferable interatomic poten- tials.Phys

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This paper cites Performant implementation of the atomic cluster expansion (PACE) and application to cop- per and silicon.Npj Comput.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Performant implementation of the atomic cluster expansion (PACE) and application to cop- per and silicon.Npj Comput

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

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Observation 040234d4-0f01-4059-a12b-4286fdc23148 · outbound

This paper cites Reconsid- ering short-range order in complex concentrated alloys.MRS Bulletin,48(7), 753–761, Jul 2023.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Reconsid- ering short-range order in complex concentrated alloys.MRS Bulletin,48(7), 753–761, Jul 2023

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This paper cites A review of calphad modeling of ordered phases.Journal of Phase Equilibria and Diffusion,39(5), 678–693, Oct.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy A review of calphad modeling of ordered phases.Journal of Phase Equilibria and Diffusion,39(5), 678–693, Oct

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Observation 87f9a384-e5b1-4a88-b874-369e0cbca664 · outbound

This paper cites Direct obser- vation of chemical short-range order in a medium- entropy alloy.Nature,592(7856), 712–716, Apr 2021.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Direct obser- vation of chemical short-range order in a medium- entropy alloy.Nature,592(7856), 712–716, Apr 2021

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This paper cites M., and Becker, J.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy M., and Becker, J

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Observation 669cb1fe-8a00-43f5-8cb0-87a3a99e4d9f · outbound

This paper cites Z., Cao, Y., et al.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Z., Cao, Y., et al

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This paper cites Automat- ing first-principles phase diagram calculations.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Automat- ing first-principles phase diagram calculations

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This paper cites A., and Glandt, E.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy A., and Glandt, E

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This paper cites Free energy cal- culations for solid solutions by computer simu- lations.Molecular Physics,72(3), 699–713, 1991.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Free energy cal- culations for solid solutions by computer simu- lations.Molecular Physics,72(3), 699–713, 1991

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This paper cites Scal- able parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Scal- able parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys.Phys

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This paper cites Auto- mated generation of structure datasets for machine learning potentials and alloys.npj Computational Materials,11(1), 174, Jun 2025.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Auto- mated generation of structure datasets for machine learning potentials and alloys.npj Computational Materials,11(1), 174, Jun 2025

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This paper cites Efficient determina- tion of free energies of non-ideal solid solutions via hybrid Monte Carlo simulations.Computer Physics Communications,304, 109307, November.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Efficient determina- tion of free energies of non-ideal solid solutions via hybrid Monte Carlo simulations.Computer Physics Communications,304, 109307, November

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy G., and Oates, W

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This paper cites I., Perdew, J.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy I., Perdew, J

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This paper cites Nonlocal first-principles calculations in Cu-Au and other intermetallic alloys.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Nonlocal first-principles calculations in Cu-Au and other intermetallic alloys.Phys

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Exchange-correlation catastrophe in Cu-Au: A challenge for semilocal density functional approx- imations.Phys

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Gradient- level and nonlocal density functional descrip- tions of Cu-Au intermetallic compounds.The 13 European Physical Journal B,91(6), 128, Jun 2018

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Atomistic modeling of the γ and γ′-phases of the Ni–Al system

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Embedded atom method potential for studying mechanical proper- ties of binary Cu–Au alloys.Modelling Simul

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Determination of the melting curve of gold up to 110 gpa.Phys

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Efficient approach to compute melting prop- erties fully from ab initio with application to cu.Phys

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy pycalphad: Calphad-based computational thermodynamics in python

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy K., Adhikari, S., Bates, J

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy pyiron: An integrated development environment for computational materials science

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy W., Rosenbluth, M

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Efficiency of ab- initio total energy calculations for metals and semiconductors using a plane-wave basis set

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Efficient itera- tive schemes for<i>ab initio</i>total-energy cal- culations using a plane-wave basis set.Physi- cal Review B,54(16), 11169–11186, October 1996

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy From ultrasoft pseu- dopotentials to the projector augmented-wave method.Physical Review B,59(3), 1758–1775, Jan- uary 1999

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy pycalphad: Calphad- based computational thermodynamics in python.Journal of Open Research Software, 2017

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy N., Scuseria, G

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy M., Tkatchenko, A., et al

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Random phase approximation up to the melt- ing point: Impact of anharmonicity and nonlo- cal many-body effects on the thermodynamics of Au.Phys

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy W., Kaplan, A

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy S., Menon, S., Poul, M., et al

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy S., Menon, S., Poul, M., et al

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy P ., and Zunger, A

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy P ., Burke, K., and Ernzerhof, M

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This paper cites Here we describe how this cost is reduced7 from a scaling linear in the system size to one indepen-8 dent of it.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Here we describe how this cost is reduced7 from a scaling linear in the system size to one indepen-8 dent of it

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy The 57 convergence of the SGC-MC/MD sampling is shown 58 in Figs

Reference 64

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 65

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Observation e20b3a59-d070-4a1e-92de-211c5fcb2bd8 · outbound

This paper cites At the phase76 transition, the two competing phases satisfy Gα(T0) =77 Gβ(T0), where T0 is the transition temperature.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy At the phase76 transition, the two competing phases satisfy Gα(T0) =77 Gβ(T0), where T0 is the transition temperature

Reference 66

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Observation 709f07e9-71da-469e-8d24-2202b8402c67 · outbound

This paper cites 99 Force MAE at ∼ 30 m eV also indicate a good fit.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy 99 Force MAE at ∼ 30 m eV also indicate a good fit

Reference 67

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Observation 2fa1aa3e-e908-4e47-b9e8-285ec78f88f9 · outbound

This paper cites 6 shows the energy volume curves for all three107 potentials presented in the main text.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy 6 shows the energy volume curves for all three107 potentials presented in the main text

Reference 68

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Observation 313e0d82-e66c-4b3d-aafa-d2c2d133bd78 · outbound

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 69

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 70

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Observation 73d4f53f-dd26-46fc-86c7-cd515e338a20 · outbound

This paper cites P ., Aktulga, H.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy P ., Aktulga, H

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Observation 83413c96-0a4f-47a4-964c-692f3f6a4908 · outbound

This paper cites Auto-139 mated free-energy calculation from atomistic sim-140 ulations.Phys.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Auto-139 mated free-energy calculation from atomistic sim-140 ulations.Phys

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Observation ff1cecb7-2344-49fe-8a7b-e8b41665026a · outbound

This paper cites T., and Badger, C.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy T., and Badger, C

Reference 73

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Observation 7c011d8a-7c81-406c-9591-df2b7bb4cd7f · outbound

This paper cites First-principles phonon calculations with146 phonopy and phono3py.J.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy First-principles phonon calculations with146 phonopy and phono3py.J

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Observation 71187154-a53b-4cbf-9ca8-306d34add15c · outbound

This paper cites an unresolved cited work.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 1994

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Observation 4b356ddc-762e-4fed-a00f-d0cbf11c4c6b · outbound

This paper cites an unresolved cited work.

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Reference 1998

Resolution: malformed identifier; no resolver link, observed 2026-08-02T01:15:05.734555Z

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Observation 5077ebc1-bc40-48fe-b9f2-f49441a40b0a · outbound

This paper cites an unresolved cited work.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 2009

Resolution: verified exact; doi, observed 2026-08-02T01:19:55.441267Z

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Observation 0206ddcd-8e50-4491-8523-e1cec2f12e3d · outbound

This paper cites an unresolved cited work.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 2015

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Observation 79f29058-ded9-4395-9a81-3221f92a4163 · outbound

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Reference 2017

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Observation 5d5cd7b1-81fe-4dd4-9dd4-1b1513d78464 · outbound

This paper cites an unresolved cited work.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 2018

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Observation 73cb7884-0f80-449a-893e-8bbe0440c9ba · outbound

This paper cites an unresolved cited work.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 2023

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Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 2024

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Observation bba5a1c5-c59c-4838-84cb-3f204ad5e019 · outbound

This paper cites an unresolved cited work.

Computing binary alloy phase diagrams with explicit configurational and vibrational entropy Unresolved cited work

Reference 2026

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