Thermodynamics and design of nanocrystalline alloys using grain boundary segregation spectra
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Title
Thermodynamics and design of nanocrystalline alloys using grain boundary segregation spectra
Authors
Keywords
Nanocrystalline, Grain boundary, Segregation, Thermodynamics, Atomistic Modeling
Journal
ACTA MATERIALIA
Volume 217, Issue -, Pages 117177
Publisher
Elsevier BV
Online
2021-07-22
DOI
10.1016/j.actamat.2021.117177
References
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Note: Only part of the references are listed.- Machine learning for interatomic potential models
- (2020) Tim Mueller et al. JOURNAL OF CHEMICAL PHYSICS
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- (2019) Volker L. Deringer et al. ADVANCED MATERIALS
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- (2018) Dor Amram et al. ACTA MATERIALIA
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- A machine learning approach to model solute grain boundary segregation
- (2018) Liam Huber et al. npj Computational Materials
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- (2017) Arvind R. Kalidindi et al. JOURNAL OF MATERIALS RESEARCH
- Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals
- (2017) C. J. O’Brien et al. JOURNAL OF MATERIALS SCIENCE
- The atomic simulation environment—a Python library for working with atoms
- (2017) Ask Hjorth Larsen et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Stability of nanosized alloy thin films: Faulting and phase separation in metastable Ni/Cu/Ag-W films
- (2016) G. Csiszár et al. ACTA MATERIALIA
- Thermal Stability Comparison of Nanocrystalline Fe-Based Binary Alloy Pairs
- (2016) B. G. Clark et al. JOM
- Extreme creep resistance in a microstructurally stable nanocrystalline alloy
- (2016) K. A. Darling et al. NATURE
- Atomsk: A tool for manipulating and converting atomic data files
- (2015) Pierre Hirel COMPUTER PHYSICS COMMUNICATIONS
- High-Temperature Stability and Grain Boundary Complexion Formation in a Nanocrystalline Cu-Zr Alloy
- (2015) Amirhossein Khalajhedayati et al. JOM
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- (2015) T. Frolov et al. PHYSICAL REVIEW B
- The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
- (2015) Scott Kirklin et al. npj Computational Materials
- Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps
- (2014) K.A. Darling et al. COMPUTATIONAL MATERIALS SCIENCE
- Stability of binary nanocrystalline alloys against grain growth and phase separation
- (2013) Heather A. Murdoch et al. ACTA MATERIALIA
- Grain boundary complexions
- (2013) Patrick R. Cantwell et al. ACTA MATERIALIA
- Considerations for choosing and using force fields and interatomic potentials in materials science and engineering
- (2013) Chandler A. Becker et al. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE
- Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
- (2013) James E. Saal et al. JOM
- Thermodynamic stabilization of nanocrystalline binary alloys
- (2013) Mostafa Saber et al. JOURNAL OF APPLIED PHYSICS
- Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design
- (2013) Heather A. Murdoch et al. JOURNAL OF MATERIALS RESEARCH
- Effect of Interface Phase Transformations on Diffusion and Segregation in High-Angle Grain Boundaries
- (2013) T. Frolov et al. PHYSICAL REVIEW LETTERS
- Nano-structure of Co–W alloy electrodeposited from gluconate bath
- (2013) D.P. Weston et al. SURFACE & COATINGS TECHNOLOGY
- Structural phase transformations in metallic grain boundaries
- (2013) Timofey Frolov et al. Nature Communications
- Stabilization and strengthening of nanocrystalline copper by alloying with tantalum
- (2012) T. Frolov et al. ACTA MATERIALIA
- AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
- (2012) Stefano Curtarolo et al. COMPUTATIONAL MATERIALS SCIENCE
- Synthesis, structure stability and magnetic properties of nanocrystalline Ag–Ni alloy
- (2012) Kalavathy Santhi et al. JOURNAL OF NANOPARTICLE RESEARCH
- Structure identification methods for atomistic simulations of crystalline materials
- (2012) Alexander Stukowski MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Modified embedded atom method potential for Al, Si, Mg, Cu, and Fe alloys
- (2012) B. Jelinek et al. PHYSICAL REVIEW B
- Design of Stable Nanocrystalline Alloys
- (2012) T. Chookajorn et al. SCIENCE
- Grain Boundary Segregation and Interdiffusion Effects in Nickel–Copper Alloys: An Effective Means to Improve the Thermal Stability of Nanocrystalline Nickel
- (2011) Eva Pellicer et al. ACS Applied Materials & Interfaces
- A high-throughput infrastructure for density functional theory calculations
- (2011) Anubhav Jain et al. COMPUTATIONAL MATERIALS SCIENCE
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- (2011) W. Michael Brown et al. COMPUTER PHYSICS COMMUNICATIONS
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- (2011) Gregory S. Rohrer JOURNAL OF MATERIALS SCIENCE
- Stabilized nanocrystalline iron-based alloys: Guiding efforts in alloy selection
- (2011) K.A. Darling et al. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
- The Phase Behavior of Interfaces
- (2011) M. P. Harmer SCIENCE
- Thermal stability of nanocrystalline Pd81Zr19
- (2010) Brian K. VanLeeuwen et al. ACTA MATERIALIA
- Thermal stability of nanocrystalline Fe–Zr alloys
- (2010) K.A. Darling et al. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
- Third law of thermodynamics as applied to phase diagrams
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- Nanoscale shape-memory alloys for ultrahigh mechanical damping
- (2009) Jose San Juan et al. Nature Nanotechnology
- Development of an interatomic potential for the Ni-Al system
- (2009) G.P. Purja Pun et al. PHILOSOPHICAL MAGAZINE
- Development of interatomic potentials appropriate for simulation of solid–liquid interface properties in Al–Mg alloys
- (2009) M.I. Mendelev et al. PHILOSOPHICAL MAGAZINE
- Grain boundary segregation and thermodynamically stable binary nanocrystalline alloys
- (2009) Jason R. Trelewicz et al. PHYSICAL REVIEW B
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- Mechanochemical synthesis, thermal stability and selective electrochemical dissolution of Cu–Ag solid solutions
- (2008) T. Spassov et al. JOURNAL OF ALLOYS AND COMPOUNDS
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