Cargando…

Configurational Entropy in Multicomponent Alloys: Matrix Formulation from Ab Initio Based Hamiltonian and Application to the FCC Cr-Fe-Mn-Ni System

Configuration entropy is believed to stabilize disordered solid solution phases in multicomponent systems at elevated temperatures over intermetallic compounds by lowering the Gibbs free energy. Traditionally, the increment of configuration entropy with temperature was computed by time-consuming the...

Descripción completa

Detalles Bibliográficos
Autores principales:	Fernández-Caballero, Antonio, Fedorov, Mark, Wróbel, Jan S., Mummery, Paul M., Nguyen-Manh, Duc
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7514176/ https://www.ncbi.nlm.nih.gov/pubmed/33266784 http://dx.doi.org/10.3390/e21010068

Ejemplares similares

Ab Initio Study of Elastic and Mechanical Properties in FeCrMn Alloys
por: Razumovskiy, Vsevolod I., et al.
Publicado: (2019)

Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian
por: Nenov, Artur, et al.
Publicado: (2014)

Intermediate-Temperature Creep Deformation and Microstructural Evolution of an Equiatomic FCC-Structured CoCrFeNiMn High-Entropy Alloy
por: Cao, Chengming, et al.
Publicado: (2018)

Thermodynamic and Ab Initio Design of Multicomponent Alloys Based on (Fe(50)Mn(30)Co(10)Cr(10))-xBx (x = 0, 5, 7, 10, and 15 at.%)
por: Vargas-Osorio, Rodrigo, et al.
Publicado: (2023)

Ab initio study of alloying of MnBi to enhance the energy product
por: Paudel, Tula R., et al.
Publicado: (2021)

An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni(2)MnSn
por: Friák, Martin, et al.
Publicado: (2021)

On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations
por: Bucher, Denis, et al.
Publicado: (2011)

Grain boundary decohesion by nanoclustering Ni and Cr separately in CrMnFeCoNi high-entropy alloys
por: Ming, Kaisheng, et al.
Publicado: (2019)

Ab initio-predicted micro-mechanical performance of refractory high-entropy alloys
por: Li, Xiaoqing, et al.
Publicado: (2015)

Tracer diffusion in single crystalline CoCrFeNi and CoCrFeMnNi high entropy alloys
por: Gaertner, Daniel, et al.
Publicado: (2018)

Benchmark dataset of the effect of grain size on strength in the single-phase FCC CrCoNi medium entropy alloy
por: Schneider, M., et al.
Publicado: (2019)

Thermal spin fluctuations in CoCrFeMnNi high entropy alloy
por: Dong, Zhihua, et al.
Publicado: (2018)

Amorphization in extreme deformation of the CrMnFeCoNi high-entropy alloy
por: Zhao, Shiteng, et al.
Publicado: (2021)

Mechanical Spectroscopy Study of CrNiCoFeMn High-Entropy Alloys
por: Campari, Enrico Gianfranco, et al.
Publicado: (2023)

Strain Effects on the Two-Dimensional Cr(2)N MXene: An Ab Initio Study
por: Gutiérrez-Ojeda, Sandra Julieta, et al.
Publicado: (2022)

Composition and Structure of NiCoFeCr and NiCoFeCrMn High-Entropy Alloys Irradiated by Helium Ions
por: Amanzhulov, Bauyrzhan, et al.
Publicado: (2023)

Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi
por: Zhang, ZiJiao, et al.
Publicado: (2015)

Irradiation resistance mechanism of the CoCrFeMnNi equiatomic high-entropy alloy
por: Xu, Q., et al.
Publicado: (2021)

Data compilation regarding the effects of grain size and temperature on the strength of the single-phase FCC CrFeNi medium-entropy alloy
por: Schneider, Mike, et al.
Publicado: (2021)

Central configurations, periodic orbits, and Hamiltonian systems
por: Llibre, Jaume, et al.
Publicado: (2015)

Corrosion and Thermal Stability of CrMnFeNi High Entropy Alloy in Molten FLiBe Salt
por: Elbakhshwan, Mohamed, et al.
Publicado: (2019)

Effect of Grain Size on the Tribological Behavior of CoCrFeMnNi High Entropy Alloy
por: Wang, Ying, et al.
Publicado: (2023)

Co-Cr-Fe-Mn-Ni Oxide as a Highly Efficient Thermoelectric High-Entropy Alloy
por: Pankratova, Daria, et al.
Publicado: (2023)

Microstructure and Corrosive Wear Properties of CoCrFeNiMn High-Entropy Alloy Coatings
por: Wang, Haodong, et al.
Publicado: (2022)

Effect of Boronizing on the Microstructure and Mechanical Properties of CoCrFeNiMn High-Entropy Alloy
por: Hu, Mingyu, et al.
Publicado: (2023)

Adsorption and Dissociation of Ni(acac)(2) on Iron by Ab Initio Calculations
por: Corsini, Chiara, et al.
Publicado: (2020)

Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles
por: Ikeda, Yuji, et al.
Publicado: (2018)

Ab Initio Study of Sodium Insertion in the λ-Mn(2)O(4) and Dis/Ordered λ-Mn(1.5)Ni(0.5)O(4) Spinels
por: Vasileiadis, Alexandros, et al.
Publicado: (2018)

Data compilation on the effect of grain size, temperature, and texture on the strength of a single-phase FCC MnFeNi medium-entropy alloy
por: Schneider, M., et al.
Publicado: (2019)

Synthesis, Morphology, and Hydrogen Absorption Properties of TiVMn and TiCrMn Nanoalloys with a FCC Structure
por: Li, Bo, et al.
Publicado: (2018)

Accurate ab Initio Spin Densities
por: Boguslawski, Katharina, et al.
Publicado: (2012)

Discovering chemistry with an ab initio nanoreactor
por: Wang, Lee-Ping, et al.
Publicado: (2014)

Effect of Mn Addition on the Microstructures and Mechanical Properties of CoCrFeNiPd High Entropy Alloy
por: Tan, Yiming, et al.
Publicado: (2019)

Generalized Stacking Fault Energy of Al-Doped CrMnFeCoNi High-Entropy Alloy
por: Sun, Xun, et al.
Publicado: (2019)

Constitutive modelling of hot deformation behaviour of a CoCrFeMnNi high-entropy alloy
por: Patnamsetty, Madan, et al.
Publicado: (2020)

Anisotropic Response of CoCrFeMnNi High-Entropy Alloy Fabricated by Selective Laser Melting
por: Wang, Bowen, et al.
Publicado: (2020)

Effect of Grain Size on Carburization Characteristics of the High-Entropy Equiatomic CoCrFeMnNi Alloy
por: Nam, Hyunbin, et al.
Publicado: (2021)

Microstructural Study of CrNiCoFeMn High Entropy Alloy Obtained by Selective Laser Melting
por: Campari, Enrico Gianfranco, et al.
Publicado: (2022)

Microbiologically influenced corrosion of FeCoNiCrMn high-entropy alloys by Pseudomonas aeruginosa biofilm
por: Yang, Jike, et al.
Publicado: (2022)

Different Types of Particle Effects in Creep Tests of CoCrFeNiMn High-Entropy Alloy
por: Dobeš, Ferdinand, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_hum029l4d12i0vmq58rdc2626h