Cargando…

Efficient Calculation of the Negative Thermal Expansion in ZrW(2)O(8)

We present a study of the origin of the negative thermal expansion (NTE) on ZrW(2)O(8) by combining an efficient approach for computing the dynamical matrix with the Lanczos algorithm for generating the phonon density of states in the quasi-harmonic approximation. The simulations show that the NTE a...

Descripción completa

Detalles Bibliográficos
Autores principales:	Vila, Fernando D., Hayashi, Scott T., Rehr, John J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6077204/ https://www.ncbi.nlm.nih.gov/pubmed/30105223 http://dx.doi.org/10.3389/fchem.2018.00296

Ejemplares similares

Extended X-Ray Absorption Fine Structure of ZrW(2)O(8): Theory vs. Experiment
por: Vila, Fernando D., et al.
Publicado: (2018)

Macro-Scale Strength and Microstructure of ZrW(2)O(8) Cementitious Composites with Tunable Low Thermal Expansion
por: Ouyang, Jianshu, et al.
Publicado: (2018)

Low-Temperature Spark Plasma Sintering of ZrW(2−x)Mo(x)O(8) Exhibiting Controllable Negative Thermal Expansion
por: Wei, Hui, et al.
Publicado: (2018)

Cubic ZrW(1.75)Mo(0.25)O(8) from a Rietveld refinement based on neutron powder diffraction data
por: Deng, Xuebin, et al.
Publicado: (2009)

Low-Temperature Rapid Sintering of Dense Cubic Phase ZrW(2−x)Mo(x)O(8) Ceramics by Spark Plasma Sintering and Evaluation of Its Thermal Properties
por: Wei, Hui, et al.
Publicado: (2022)

Hydrothermally synthesized poorly-crystalline binary oxides with ZrW(2)O(8) composition: preparation, structural analysis, and catalytic activity for the alkylation of anisole with benzyl alcohol
por: Yamamoto, Takashi, et al.
Publicado: (2022)

Preparation of Zr(Mo,W)(2)O(8) with a larger negative thermal expansion by controlling the thermal decomposition of Zr(Mo,W)(2)(OH,Cl)(2)∙2H(2)O
por: Petrushina, Mariya Yu., et al.
Publicado: (2018)

In-Situ Al-Mg Alloy Base Composite Reinforced by Oxides and Intermetallic Compounds Resulted from Decomposition of ZrW(2)O(8) during Multipass Friction Stir Processing
por: Chumaevskii, Andrey, et al.
Publicado: (2023)

Synthesis of Zr(2)WP(2)O(12)/ZrO(2) Composites with Adjustable Thermal Expansion
por: Zhang, Zhiping, et al.
Publicado: (2017)

First-Principles Structural, Mechanical, and Thermodynamic Calculations of the Negative Thermal Expansion Compound Zr(2)(WO(4))(PO(4))(2)
por: Weck, Philippe F., et al.
Publicado: (2018)

Adjustable Thermal Expansion Properties in Zr(2)MoP(2)O(12)/ZrO(2) Ceramic Composites
por: Liu, Hongfei, et al.
Publicado: (2018)

First principles calculations of the thermodynamic stability of Ba, Zr, and O vacancies in BaZrO(3)
por: Raja, N., et al.
Publicado: (2019)

Giant uniaxial negative thermal expansion in FeZr(2) alloy over a wide temperature range
por: Xu, Meng, et al.
Publicado: (2023)

Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo(2)VO(12)
por: Ge, Xianghong, et al.
Publicado: (2016)

Fabrication of Zr(2)WP(2)O(12)/ZrV(0.6)P(1.4)O(7) composite with a nearly zero-thermal-expansion property
por: Yanase, Ikuo, et al.
Publicado: (2017)

Oxidation Behavior of the Monolayered La(2)Zr(2)O(7), Composite La(2)Zr(2)O(7) + 8YSZ, and Double-Ceramic Layered La(2)Zr(2)O(7)/La(2)Zr(2)O(7) + 8YSZ/8YSZ Thermal Barrier Coatings
por: Jasik, Anna, et al.
Publicado: (2020)

Superior Radiation Resistance of ZrO(2)-Modified W Composites
por: Cui, Bo, et al.
Publicado: (2022)

Progress of Research in Negative Thermal Expansion Materials: Paradigm Shift in the Control of Thermal Expansion
por: Takenaka, Koshi
Publicado: (2018)

Sintering Behavior, Thermal Expansion, and Environmental Impacts Accompanying Materials of the Al(2)O(3)/ZrO(2) System Fabricated via Slip Casting
por: Zygmuntowicz, Justyna, et al.
Publicado: (2021)

An Atomistic-Scale Study for Thermal Conductivity and Thermochemical Compatibility in (DyY)Zr(2)O(7) Combining an Experimental Approach with Theoretical Calculation
por: Qu, Liu, et al.
Publicado: (2016)

Colossal negative thermal expansion in BiNiO(3) induced by intermetallic charge transfer
por: Azuma, Masaki, et al.
Publicado: (2011)

Control of coordinatively unsaturated Zr sites in ZrO(2) for efficient C–H bond activation
por: Zhang, Yaoyuan, et al.
Publicado: (2018)

Colossal negative thermal expansion in reduced layered ruthenate
por: Takenaka, Koshi, et al.
Publicado: (2017)

Negative thermal expansion induced by intermetallic charge transfer
por: Azuma, Masaki, et al.
Publicado: (2015)

Negative Thermal Expansion in the Materials With Giant Magnetocaloric Effect
por: Hu, Fengxia, et al.
Publicado: (2018)

Thermal property and failure behavior of LaSmZrO thermal barrier coatings by EB-PVD
por: Shen, Zaoyu, et al.
Publicado: (2022)

Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation
por: Jin, Qiu-Yan, et al.
Publicado: (2023)

Observation of negative capacitance in antiferroelectric PbZrO(3) Films
por: Qiao, Leilei, et al.
Publicado: (2021)

Ca$_2$MnO$_4$ structural path: Following the negative thermal expansion at the local scale
por: Rocha-Rodrigues, Pedro, et al.
Publicado: (2020)

Elastic mechanics solution of thermal expansion of bi-material curved beam and its application to negative thermal expansion metamaterials
por: Huang, Jingxiang, et al.
Publicado: (2022)

Synthesis of W-modified CeO(2)/ZrO(2) catalysts for selective catalytic reduction of NO with NH(3)
por: Li, Chenglong, et al.
Publicado: (2022)

Synthesis and thermal stability of ZrO(2)@SiO(2) core–shell submicron particles
por: Finsel, Maik, et al.
Publicado: (2019)

Phase Formation and Thermal Stability of Reactively Sputtered YTaO(4)–ZrO(2) Coatings
por: Stelzer, Bastian, et al.
Publicado: (2021)

Computational Study into the Effects of Countercations on the [P(8)W(48)O(184)](40–) Polyoxometalate Wheel
por: Malcolm, Daniel, et al.
Publicado: (2023)

Phase Transition and Coefficients of Thermal Expansion in Al(2−x)In(x)W(3)O(12) (0.2 ≤ x ≤ 1)
por: Cortés, Andrés Esteban Cerón, et al.
Publicado: (2021)

Effects of zirconium element on the microstructure and deuterium retention of W–Zr/Sc(2)O(3) composites
por: Chen, Hongyu, et al.
Publicado: (2016)

Thermally stable and highly efficient red-emitting Eu(3+)-doped Cs(3)GdGe(3)O(9) phosphors for WLEDs: non-concentration quenching and negative thermal expansion
por: Dang, Peipei, et al.
Publicado: (2021)

Substitutions of Zr(4+)/V(5+) for Y(3+)/Mo(6+) in Y(2)Mo(3)O(12) for Less Hygroscopicity and Low Thermal Expansion Properties
por: Ma, Qiang, et al.
Publicado: (2019)

On the calculability of W$_{L}$+ - W$_{R}$+ gauge mixing
por: Branco, Gustavo Castello, et al.
Publicado: (1982)

Germanium Negative Capacitance Field Effect Transistors: Impacts of Zr Composition in Hf(1−x)Zr(x)O(2)
por: Peng, Yue, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_rugsli8cbfj12msh8neha13mtt