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First-principles investigation on the atomic structure, stability and electronic property of O(001)/B2(110) interface in Ti2AlNb alloys

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/adts.201900078openalex-snapshot
Beyond Coherent Oxide Heterostructures: Atomic‐Scale Structure of Misfit Dislocations
inferredcites →https://doi.org/10.1002/pssb.201600634openalex-snapshot
Elastic and thermodynamic properties of the Ti2AlNb orthorhombic phase from first‐principles calculations
inferredcites →https://doi.org/10.1006/jcph.1996.5612openalex-snapshot
Relaxation of Crystals with the Quasi-Newton Method
inferredcites →https://doi.org/10.1016/j.actamat.2017.05.074openalex-snapshot
Vacancy mediated alloying strengthening effects on γ/γ′ interface of Ni-based single crystal superalloys: A first-principles study
inferredcites →https://doi.org/10.1016/j.apsusc.2013.03.065openalex-snapshot
First principles study of α2-Ti3Al(0001) surface and γ-TiAl(111)/α2-Ti3Al(0001) interfaces
inferredcites →https://doi.org/10.1016/j.apsusc.2017.10.112openalex-snapshot
First-principles investigation on the structures, energies, electronic and defective properties of Ti 2 AlN surfaces
inferredcites →https://doi.org/10.1016/j.apt.2017.04.009openalex-snapshot
Dual structure O + B2 for enhancement of hardness in furnace-cooled Ti 2 AlNb-based alloys by powder metallurgy
inferredcites →https://doi.org/10.1016/j.corsci.2018.11.036openalex-snapshot
Short- and long-term oxidation behaviour of an advanced Ti2AlNb alloy
inferredcites →https://doi.org/10.1016/j.ijplas.2014.09.006openalex-snapshot
Quantifying the influence of twin boundaries on the deformation of nanocrystalline copper using atomistic simulations
inferredcites →https://doi.org/10.1016/j.intermet.2009.02.002openalex-snapshot
Evolution of crystallographic texture and microstructure in the orthorhombic phase of a two-phase alloy Ti–22Al–25Nb
inferredcites →https://doi.org/10.1016/j.intermet.2010.02.010openalex-snapshot
Annealing response of the intermetallic alloy Ti–22Al–25Nb
inferredcites →https://doi.org/10.1016/j.intermet.2012.04.021openalex-snapshot
B2 grain growth and particle pinning effect of Ti-22Al-25Nb orthorhombic intermetallic alloy during heating process
inferredcites →https://doi.org/10.1016/j.intermet.2013.09.011openalex-snapshot
Quantitative analysis of the effect of heat treatment on microstructural evolution and microhardness of an isothermally forged Ti–22Al–25Nb (at.%) orthorhombic alloy
inferredcites →https://doi.org/10.1016/j.intermet.2017.10.014openalex-snapshot
Atomic structure, stability and electronic properties of S(Al2CuMg)/Al interface: A first-principles study
inferredcites →https://doi.org/10.1016/j.intermet.2018.02.012openalex-snapshot
Adhesion, stability and electronic properties of Ti 2 AlN(0001)/TiAl(111) coherent interface from first-principles calculation
inferredcites →https://doi.org/10.1016/j.jallcom.2017.08.069openalex-snapshot
Numerical and experimental investigation of laser additive manufactured Ti2AlNb-based alloy
inferredcites →https://doi.org/10.1016/j.jallcom.2018.01.279openalex-snapshot
Fabrication of a high strength and ductility Ti‒22Al‒25Nb alloy from high energy ball-milled powder by spark plasma sintering
inferredcites →https://doi.org/10.1016/j.matchar.2018.09.009openalex-snapshot
Precipitation behavior of Widmanstätten O phase associated with interface in aged Ti2AlNb-based alloys
inferredcites →https://doi.org/10.1016/j.matdes.2018.08.011openalex-snapshot
Orthorhombic precipitate variant selection in a Ti2AlNb based alloy
inferredcites →https://doi.org/10.1016/j.msea.2014.09.035openalex-snapshot
Designed bimodal size lamellar O microstructures in Ti 2 AlNb based alloy: Microstructural evolution, tensile and creep properties
inferredcites →https://doi.org/10.1016/j.msea.2018.05.110openalex-snapshot
Microstructure evolution, B2 grain growth kinetics and fracture behaviour of a powder metallurgy Ti-22Al-25Nb alloy fabricated by spark plasma sintering
inferredcites →https://doi.org/10.1016/j.pmatsci.2015.02.001openalex-snapshot
Defect-interface interactions
inferredcites →https://doi.org/10.1016/j.spmi.2016.04.026openalex-snapshot
Influence of atom termination and stacking sequence on the θ′/Al interfaces from first-principles calculations
inferredcites →https://doi.org/10.1016/j.ssc.2014.12.002openalex-snapshot
A first principles study of Ti 2 AlNb intermetallic
inferredcites →https://doi.org/10.1016/j.vacuum.2019.03.022openalex-snapshot
Effect of dual aging treatments on phase transformation and microstructure in a pre-deformed Ti2AlNb-based alloy containing O + β/B2 structures
inferredcites →https://doi.org/10.1021/j100203a036openalex-snapshot
General methods for geometry and wave function optimization
inferredcites →https://doi.org/10.1038/natrevmats.2016.19openalex-snapshot
Stabilizing nanostructures in metals using grain and twin boundary architectures
inferredcites →https://doi.org/10.1088/0953-8984/14/11/301openalex-snapshot
First-principles simulation: ideas, illustrations and the CASTEP code
inferredcites →https://doi.org/10.1088/1361-648x/aafd0eopenalex-snapshot
The effect of interface atomic structure on the deformation mechanisms of Ti 2 AlN/TiAl composite under nanoindentation using MD simulations
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.41.7892openalex-snapshot
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
inferredcites →https://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.47.10142openalex-snapshot
Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials
inferredcites →https://doi.org/10.1103/physrevb.48.4978.2openalex-snapshot
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevlett.72.4021openalex-snapshot
Metal-Ceramic Adhesion and the Harris Functional
inferredcites →https://doi.org/10.1524/zkri.220.5.567.65075openalex-snapshot
First principles methods using CASTEP

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Precipitation Simulations of the O‐Phase in Ti 2 AlNb Alloys Processed by Laser Powder Bed Fusion
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Laser‐Directed Energy Deposition of Ti 2 AlNb Alloy: As‐Deposited Ultrahigh Strength and Heat‐Treated Strength–Ductility Balance
inferred← citeshttps://doi.org/10.1007/s10853-022-07788-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.apsusc.2026.167217openalex-snapshot
First-principles study of the effects of Cu, Zr, and Mo doping on the O(001)/B2(110) interface of Ti2AlNb alloys
inferred← citeshttps://doi.org/10.1016/j.cja.2025.103596openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.comptc.2024.115002openalex-snapshot
Insights on formation of oxide layers, corrosion, and hydrogen embrittlement on the Ti2AlNb (1 1 0) surface: Density functional theory study
inferred← citeshttps://doi.org/10.1016/j.ijmecsci.2026.111415openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ijrmhm.2022.105872openalex-snapshot
Investigation on the WC/Cu interfacial bonding properties: First-principles prediction and experimental verification
inferred← citeshttps://doi.org/10.1016/j.intermet.2026.109577openalex-snapshot
Phase-dependent high-temperature oxidation behavior of multiphase Ti2AlNb alloy
inferred← citeshttps://doi.org/10.1016/j.jallcom.2021.159598openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jallcom.2024.178377openalex-snapshot
Improving the uniform deformation ability and ductility of powder metallurgical Ti2AlNb intermetallic with single-step solution heat treatment
inferred← citeshttps://doi.org/10.1016/j.jallcom.2025.181160openalex-snapshot
The effect of primary and secondary O phase on the mechanical properties and deformation behavior of Ti2AlNb alloy
inferred← citeshttps://doi.org/10.1016/j.jallcom.2026.190554openalex-snapshot
Effect of TiN addition on microstructural and mechanical behavior of Ti-22Al-25Nb-5Ta matrix composites: Experiments and first-principles calculations
inferred← citeshttps://doi.org/10.1016/j.jmst.2021.01.087openalex-snapshot
Mechanism and morphology evolution of the O phase transformation in Ti-22Al-25Nb alloy
inferred← citeshttps://doi.org/10.1016/j.matchar.2024.114704openalex-snapshot
Precipitation behavior and strengthening mechanism of the interfacial nano-O phase of Ti2AlNb diffusion welded joints with high-entropy interlayer during aging process
inferred← citeshttps://doi.org/10.1016/j.msea.2024.146341openalex-snapshot
Excellent strength-toughness combination of NiAl–30Cr composites with novel in situ composite microstructure containing NiAl matrix and Cr single-phase
inferred← citeshttps://doi.org/10.1016/j.msea.2026.150778openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.surfin.2025.107415openalex-snapshot
Atomic-scale elucidation of TiB(001)/B2(011) heterointerface adhesion and electronic coupling: A first-principles investigation into stability and bonding mechanisms
inferred← citeshttps://doi.org/10.1016/j.vacuum.2024.113112openalex-snapshot
Investigation on creep behavior and microstructural features of an additively manufactured Ti2AlNb alloy upon isothermal deformation at elevated temperature
inferred← citeshttps://doi.org/10.1016/j.vacuum.2024.113158openalex-snapshot
Interface energy, adhesion work and electronic structure of Ti3AlC2/Ag interface calculated from first principles
inferred← citeshttps://doi.org/10.1039/d3cp04727jopenalex-snapshot
Theoretical study of the effects of alloying elements on TiO 2 /Ti 2 AlNb interface adhesion properties
inferred← citeshttps://doi.org/10.3390/ma18143334openalex-snapshot
Multiscale Simulation of Nanowear-Resistant Coatings
inferred← citeshttps://doi.org/10.3390/met11060985openalex-snapshot
Research Progress of First Principles Studies on Oxidation Behaviors of Ti-Al Alloys and Alloying Influence
inferred← citeshttps://doi.org/10.3390/met14030316openalex-snapshot
First-Principles Investigation on the Adsorption and Diffusion of Oxygen at the B2(110)–O(001) Interface in Ti2AlNb Alloys
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