Cargando…

First-principles calculations of high-pressure physical properties anisotropy for magnesite

The first-principles calculations based on density functional theory with projector-augmented wave are used to study the anisotropy of elastic modulus, mechanical hardness, minimum thermal conductivity, acoustic velocity and thermal expansion of magnesite (MgCO(3)) under deep mantle pressure. The ca...

Descripción completa

Detalles Bibliográficos
Autores principales:	Liu, Zi-Jiang, Sun, Xiao-Wei, Zhang, Cai-Rong, Zhang, Shun-Jing, Zhang, Zheng-Rong, Jin, Neng-Zhi
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8901803/ https://www.ncbi.nlm.nih.gov/pubmed/35256677 http://dx.doi.org/10.1038/s41598-022-07705-3

Ejemplares similares

Study on the Influence of Magnesite Tailings on the Expansion and Mechanical Properties of Mortar
por: Jiang, Feifei, et al.
Publicado: (2023)

First-principles study on the high-pressure physical properties of orthocarbonate Ca(2)CO(4)
por: Liu, Zi-Jiang, et al.
Publicado: (2023)

CO(2) Adsorption Performance and Kinetics of Ionic Liquid-Modified Calcined Magnesite
por: Yang, Na, et al.
Publicado: (2021)

Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations
por: Hasan, Sahib, et al.
Publicado: (2021)

Removal of Silicon from Magnesite by Flotation: Influence of Particle Size and Mechanical Mechanism
por: Zhang, Ruinan, et al.
Publicado: (2023)

The determination of the optimum conditions upon the leaching performance of calcined magnesite
por: Demir, Fatih, et al.
Publicado: (2019)

Study on regulators of purifying magnesite ore by cationic reverse flotation
por: Li, Pengcheng, et al.
Publicado: (2021)

The Effect of Hydrogen on Plastic Anisotropy of Mg and α-Ti/Zr from First-Principles Calculations
por: Wang, Jiwei, et al.
Publicado: (2023)

Effect of n-octanol on impurity removal by reverse flotation of magnesite ore
por: Li, Pengcheng, et al.
Publicado: (2022)

Electronic structure, elasticity, Debye temperature and anisotropy of cubic WO(3) from first-principles calculation
por: Liu, Xing, et al.
Publicado: (2018)

First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals
por: Hasan, Sahib, et al.
Publicado: (2022)

First-principles calculations of mechanical and thermodynamic properties of tetragonal Be(12)Ti
por: Liu, Xiankun, et al.
Publicado: (2019)

First-principles calculations of perpendicular magnetic anisotropy in Fe(1−x)Co(x)/MgO(001) thin films
por: Cai, Guanzhi, et al.
Publicado: (2015)

Deformation Modes and Anisotropy of Anti-Perovskite Ti(3)AN (A = Al, In and Tl) from First-Principle Calculations
por: Chen, Kuankuan, et al.
Publicado: (2017)

First-principles investigation on elastic and thermodynamic properties of Pnnm-CN under high pressure
por: Ya-Ru, Zhao, et al.
Publicado: (2016)

Unraveling the Phase Stability and Physical Property of Modulated Martensite in Ni(2)Mn(1.5)In(0.5) Alloys by First-Principles Calculations
por: Liang, Xin-Zeng, et al.
Publicado: (2022)

Stability and optical properties of plutonium monoxide from first-principle calculation
por: Qiu, Ruizhi, et al.
Publicado: (2017)

A New Superhard Phase and Physical Properties of ZrB(3) from First-Principles Calculations
por: Zhang, Gangtai, et al.
Publicado: (2016)

Exceptional Thermoelectric Properties of Bilayer GeSe: First Principles Calculation
por: Fan, Qiang, et al.
Publicado: (2022)

Deep carbon cycling during subduction revealed by coexisting diamond-methane-magnesite in peridotite
por: Wang, Xiaoxia, et al.
Publicado: (2023)

Study on the Properties and Heavy Metal Solidification Characteristics of Sintered Ceramsites Composed of Magnesite Tailings, Sewage Sludge, and Coal Gangue
por: Li, Yanlong, et al.
Publicado: (2022)

Structure and Properties of Copper Pyrophosphate by First-Principle Calculations
por: Majtyka-Piłat, Anna, et al.
Publicado: (2022)

First-Principles Calculations of Oxygen-Dislocation Interaction in Magnesium
por: Fang, Chao, et al.
Publicado: (2019)

Optical properties of dense lithium in electride phases by first-principles calculations
por: Yu, Zheng, et al.
Publicado: (2018)

Physical Properties of XN (X = B, Al, Ga, In) in the Pm−3n phase: First-Principles Calculations
por: Zhang, Qidong, et al.
Publicado: (2020)

Exploration for the Optical Properties and Fluorescent Prediction of Nitrotriazole and Nitrofurazan: First-Principles and TD-DFT Calculations
por: Lyu, Ruiqi, et al.
Publicado: (2022)

Calcined magnesite as an adsorbent for cationic and anionic dyes: characterization, adsorption parameters, isotherms and kinetics study
por: Ngulube, T., et al.
Publicado: (2018)

Safety of natural mixture of dolomite plus magnesite and magnesium‐phyllosilicates (Fluidol) for all animal species
por: Rychen, Guido, et al.
Publicado: (2017)

Safety of natural mixture of dolomite plus magnesite and magnesium‐phyllosilicates (Fluidol) for all animal species
por: Rychen, Guido, et al.
Publicado: (2018)

Electronic and Optical Properties of Two-Dimensional Tellurene: From First-Principles Calculations
por: Sang, David K., et al.
Publicado: (2019)

A chemical-bond-driven edge reconstruction of Sb nanoribbons and their thermoelectric properties from first-principles calculations
por: Shen, Jin-Ni, et al.
Publicado: (2019)

Magnetization reversal of perpendicular magnetic anisotropy regulated by ferroelectric polarization in CoFe(3)N/BaTiO(3) heterostructures: first-principles calculations
por: Li, Zirun, et al.
Publicado: (2023)

First-principales calculations of the magnetic anisotropy energy of Fe-V multilayers
por: Le Bacq, O, et al.
Publicado: (2002)

Optical Properties of Graphene/MoS(2) Heterostructure: First Principles Calculations
por: Qiu, Bin, et al.
Publicado: (2018)

Anharmonic Effects on the Thermodynamic Properties of Quartz from First Principles Calculations
por: Murri, Mara, et al.
Publicado: (2021)

The effect of oxidation on the electronic properties of penta-graphene: first-principles calculation
por: Li, Lin, et al.
Publicado: (2019)

Photocatalytic Properties of [Formula: see text] Heterostructure: First-Principles Calculations
por: Al-Shami, Ahmed, et al.
Publicado: (2023)

Magnetic Resonance Relaxation Anisotropy: Physical Principles and Uses in Microstructure Imaging
por: Knight, Michael J., et al.
Publicado: (2017)

Piezoelectric, Mechanical and Acoustic Properties of KNaNbOF(5) from First-Principles Calculations
por: Han, Han, et al.
Publicado: (2015)

Study on the Densification of Osmium by Experiment and First Principle Calculations
por: Yang, Yunfei, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_smtepd541rmfcd55sfihfe37oe