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Structural and Magnetic Properties of BaFeO2.667 Synthesized by Oxidizing BaFeO2.5 Obtained via Nebulized Spray Pyrolysi...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Li5Sn, the Most Lithium-Rich Binary Stannide: A Combined Experimental and Computational Study

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Temperature dependence of (111) and (110) ceria surface energy

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Ab initio simulations of the surface free energy of TiN(001)

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Perovskite oxyfluorides: A study on the topochemical fluorination of the Ba-Fe-O model system for possible SOFC cathode ...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Dynamic stabilization of perovskites at elevated temperatures:A comparison between cubic BaFeO3 and vacancy-ordered mono...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent ...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Ab initio surface free energies of tungsten with full account of thermal excitations

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Topochemical Fluorination of LaBaInO4 to LaBaInO3F2, Their Optical Characterization and Photocatalytic Activities for Hy...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature rem...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Atomistic simulations of the deformation behavior of an Nb nanowire embedded in a NiTi shape memory alloy

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Periodic Reporting for period 2 - Materials 4.0 (Advancing materials design by high-accuracy finite-temperature first pr...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Li5Sn, the Most Lithium-Rich Binary Stannide: A Combined Experimental and Computational Study

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Anharmonicity in bcc refractory elements: A detailed ab initio analysis

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Thermally-activated dislocation mobility in bcc metals: An accelerated molecular dynamics study

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Recent Advances in Understanding Diffusion in Multiprincipal Element Systems

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Structural and Magnetic Properties of BaFeO2.667 Synthesized by Oxidizing BaFeO2.5 Obtained via Nebulized Spray Pyrolysi...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Thermally-activated dislocation mobility in bcc metals: An accelerated molecular dynamics study

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Dissolution and Recrystallization Behavior of Li3PS4 in Different Organic Solvents with a Focus on N‐Methylformamide

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potent...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Ab initio simulations of the surface free energy of TiN(001)

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

High-entropy hydrides for fast and reversible hydrogen storage at room temperature: Binding-energy engineering via first...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Comprehensive Understanding of H Adsorption on MoO3 from Systematic Ab Initio Simulations

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Entropy of kink pair formation on screw dislocations: an accelerated molecular dynamics study

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent ...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration co...

Project: Materials 4.0

Updated at: 27-04-2024

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Project acronym Materials 4.0

Resources

Structural and Magnetic Properties of BaFeO2.667 Synthesized by Oxidizing BaFeO2.5 Obtained via Nebulized Spray Pyrolysi...

Li5Sn, the Most Lithium-Rich Binary Stannide: A Combined Experimental and Computational Study

Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Temperature dependence of (111) and (110) ceria surface energy

Ab initio simulations of the surface free energy of TiN(001)

Perovskite oxyfluorides: A study on the topochemical fluorination of the Ba-Fe-O model system for possible SOFC cathode ...

Dynamic stabilization of perovskites at elevated temperatures:A comparison between cubic BaFeO3 and vacancy-ordered mono...

Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent ...

<i>Ab initio</i> surface free energies of tungsten with full account of thermal excitations

Topochemical Fluorination of LaBaInO4 to LaBaInO3F2, Their Optical Characterization and Photocatalytic Activities for Hy...

Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature rem...

Atomistic simulations of the deformation behavior of an Nb nanowire embedded in a NiTi shape memory alloy

Periodic Reporting for period 2 - Materials 4.0 (Advancing materials design by high-accuracy finite-temperature first pr...

Li<sub>5</sub>Sn, the Most Lithium-Rich Binary Stannide: A Combined Experimental and Computational Study

Anharmonicity in bcc refractory elements: A detailed ab initio analysis

Thermally-activated dislocation mobility in bcc metals: An accelerated molecular dynamics study

Recent Advances in Understanding Diffusion in Multiprincipal Element Systems

Structural and Magnetic Properties of BaFeO2.667 Synthesized by Oxidizing BaFeO2.5 Obtained via Nebulized Spray Pyrolysi...

Thermally-activated dislocation mobility in bcc metals: An accelerated molecular dynamics study

Dissolution and Recrystallization Behavior of Li3PS4 in Different Organic Solvents with a Focus on N‐Methylformamide

High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potent...

Ab initio simulations of the surface free energy of TiN(001)

High-entropy hydrides for fast and reversible hydrogen storage at room temperature: Binding-energy engineering via first...

Dynamically stabilized phases with full <i>ab initio</i> accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-...

Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe

Comprehensive Understanding of H Adsorption on MoO<sub>3</sub> from Systematic <i>Ab Initio</i> Simulations

Entropy of kink pair formation on screw dislocations: an accelerated molecular dynamics study

Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom

Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent ...

Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration co...