Copertina

Temperature-dependent thermodynamic properties of CrNbO4 and CrTaO4 by first-principles calculations

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Lin, Shuang, Shang, Shun-Li, Beese, Allison M., Liu, Zi-Kui
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Materials Science
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Thermodynamic modeling of binaries in Cr-Fe-Mo-Nb-Ni supported by first-principles calculations
di: Sun, Hui, et al.
Pubblicazione: (2025)

Revisiting thermodynamics in (LiF, NaF, KF, CrF2)-CrF3 by first-principles calculations and CALPHAD modeling
di: Gong, Rushi, et al.
Pubblicazione: (2024)

Investigation of ideal shear strength of dilute binary and ternary Ni-based alloys using first-principles calculations, CALPHAD modeling and correlation analysis
di: Lin, Shuang, et al.
Pubblicazione: (2024)

Unraveling the electronic, vibrational, thermodynamic, optical and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ from first-principles calculations
di: Pradhan, Debidutta, et al.
Pubblicazione: (2025)

pyzentropy: A Python package implementing recursive entropy for first-principles thermodynamics
di: Hew, Nigel Lee En, et al.
Pubblicazione: (2026)

Additively manufactured Ni-20Cr to V functionally graded material: computational predictions and experimental verification of phase formations
di: Tonyali, Beril, et al.
Pubblicazione: (2024)

Revisiting first-principles thermodynamics by quasiharmonic approach: Application to study thermal expansion of additively-manufactured Inconel 625
di: Shang, Shun-Li, et al.
Pubblicazione: (2024)

Effects of Misorientation on Single Crystal Plasticity by Finite Element Methods
di: Shimanek, John D., et al.
Pubblicazione: (2024)

Predicting phase transitions in PbTiO$_3$ using zentropy through quasiharmonic phonon calculations
di: Hew, Nigel Lee En, et al.
Pubblicazione: (2024)

Chiral phonons in sixfold chiral CrSi$_2$: Raman spectroscopy and first-principles calculations
di: Kusuno, Gakuto, et al.
Pubblicazione: (2026)

Contrasting magnetic anisotropy in CrCl3 and CrBr3: A first-principles study
di: Si, Jiazhuang, et al.
Pubblicazione: (2025)

Impact of Ge, Ga, and Al doping on the mechanical and electronic properties of Cr$_3$Si: insights from first-principles calculations
di: Karbasizadeh, Siavash, et al.
Pubblicazione: (2024)

Circumventing cracking in grading 316L stainless steel to Monel400 through compositional modifications
di: Yang, Zhening, et al.
Pubblicazione: (2024)

Thermodynamic Modeling of Pure Elements from 0 K with Uncertainty Quantification using PyCalphad and ESPEI
di: Richter, Alexander, et al.
Pubblicazione: (2026)

Effect of Anisotropic Peierls Barrier on the Evolution of Discrete Dislocation Networks in Ni
di: Shimanek, John D., et al.
Pubblicazione: (2025)

Chiral magnon splitting in altermagnetic CrSb from first principles
di: Zhang, Yi-Fan, et al.
Pubblicazione: (2025)

MaterialsMap: A CALPHAD-Based Tool to Design Composition Pathways through feasibility map for Desired Dissimilar Materials, demonstrated with RSW Joining of Ag-Al-Cu
di: Sun, Hui, et al.
Pubblicazione: (2024)

Effect of Ti addition on the structural, thermodynamic, and elastic properties of Ti$_{x}$(HfNbTaZr)$_{(1-x)/4}$ alloys
di: Bhatti, Asif I., et al.
Pubblicazione: (2022)

Two-dimensional ferromagnetic semiconductor Cr2XP: First-principles calculations and Monte Carlo simulations
di: Wei, Xiao-Ping, et al.
Pubblicazione: (2024)

A first-principles investigation of altermagnetism in CrSb2 under applied pressure
di: Tamang, R., et al.
Pubblicazione: (2025)

Atomistic simulations of thermodynamic properties of liquid gallium from first principles
di: Wu, Hongyu, et al.
Pubblicazione: (2023)

Novel A2CrH6 (A = Ca, Sr, Ba) hydrides explored by first-principles calculations for hydrogen storage applications
di: Fatouaki, Zakaria El, et al.
Pubblicazione: (2025)

Dose and compositional dependence of irradiation-induced property change in FeCr
di: Song, Kay, et al.
Pubblicazione: (2023)

Spin-Peierls transition in the frustrated spinels ZnCr2O4 and MgCr2O4
di: Jaubert, Ludovic D. C., et al.
Pubblicazione: (2024)

An emergence of chiral helimagnetism or ferromagnetism governed by Cr intercalation in a dichalcogenide CrNb$_{3}$S$_{6}$
di: Kousaka, Y., et al.
Pubblicazione: (2022)

Microscopic theory of temperature-dependent magnetoelectric effect in Cr2O3
di: Mostovoy, Maxim, et al.
Pubblicazione: (2010)

First-principles study of structural, electronic and magnetic properties at the \ce{(0001)Cr2O3-(111)Pt} interface
di: Reher, Marlies, et al.
Pubblicazione: (2024)

Phase Composition of AlTiNbMoV, AlTiNbTaZr and AlTiNbMoCr Refractory Complex Concentrated Alloys: A Correlation of Predictions and Experiment
di: Kozlík, Jiří, et al.
Pubblicazione: (2024)

nimCSO: A Nim package for Compositional Space Optimization
di: Krajewski, Adam M., et al.
Pubblicazione: (2024)

Fundamentals on Dependence of Volume on Pressure and Temperature
di: Liu, Zi-Kui
Pubblicazione: (2024)

Short-range order and compositional phase stability in refractory high-entropy alloys via first principles theory and atomistic modelling: NbMoTa, NbMoTaW and VNbMoTaW
di: Woodgate, Christopher D., et al.
Pubblicazione: (2022)

Physical properties and first-principles calculations of an altermagnet candidate Cs$_{1-δ}$V$_2$Te$_2$O
di: Liu, Chang-Chao, et al.
Pubblicazione: (2025)

Modulating trap properties by Cr3+-doping in Zn2SiO4: Mn2+ nano phosphor for optical information storage
di: Yi, Xin, et al.
Pubblicazione: (2024)

Strain-Induced Antiferromagnetic-to-Altermagnetic Phase Transition and Topology in $(\mathrm{CrO}_2)_1/(\mathrm{TaO}_2)_2$ Superlattice
di: Shan, Wanfei, et al.
Pubblicazione: (2025)

A new approach for measurement of Cr4+ concentration in Cr4+:YAG transparent materials: some conceptual difficulties and possible solutions
di: Chaika, M., et al.
Pubblicazione: (2026)

Characterisation of Irradiation Damage in Fe3Cr and Fe5Cr: A Study on the Effects of Chromium Content and Temperature
di: Yadav, Chandra Bhusan, et al.
Pubblicazione: (2025)

The local structure, electronic and optical properties of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$-PbTiO$_3$: first-principles study
di: Kovalenko, M., et al.
Pubblicazione: (2024)

Altermagnetism and Room-Temperature Metal-to-Insulator Transition in CsCr$_2$S$_2$O
di: Liu, Yi, et al.
Pubblicazione: (2026)

An investigation on electronic and magnetic properties of Cr substituted MoS$_2$ monolayer and multilayers-Hybrid functional calculations
di: Sahoo, Aloka Ranjan, et al.
Pubblicazione: (2024)

Intrinsic breakdown strength: theoretical derivation and first-principles calculations
di: Liu, Shixu, et al.
Pubblicazione: (2024)