Cargando…

Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies

We applied first-principles electronic structure calculations to study structural, thermodynamic and elastic properties of nanocomposites exhibiting nearly perfect match of constituting phases. In particular, two combinations of transition-metal disilicides and one pair of magnetic phases containing...

Descripción completa

Detalles Bibliográficos
Autores principales:	Friák, Martin, Holec, David, Šob, Mojmír
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316202/ https://www.ncbi.nlm.nih.gov/pubmed/30558300 http://dx.doi.org/10.3390/nano8121057

Ejemplares similares

Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study
por: Šesták, Petr, et al.
Publicado: (2018)

An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides
por: Friák, Martin, et al.
Publicado: (2018)

Tensorial elastic properties and stability of interface states associated with Σ5(210) grain boundaries in Ni(3)(Al,Si)
por: Friák, Martin, et al.
Publicado: (2017)

Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study
por: Miháliková, Ivana, et al.
Publicado: (2018)

An Ab Initio Study of Thermodynamic and Mechanical Stability of Heusler-Based Fe(2)AlCo Polymorphs
por: Friák, Martin, et al.
Publicado: (2018)

A Quantum–Mechanical Study of Clean and Cr–Segregated Antiphase Boundaries in Fe(3)Al
por: Friák, Martin, et al.
Publicado: (2019)

Origin of the Low Magnetic Moment in Fe(2)AlTi: An Ab Initio Study
por: Friák, Martin, et al.
Publicado: (2018)

Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles
por: Polsterová, Svatava, et al.
Publicado: (2020)

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases
por: Miháliková, Ivana, et al.
Publicado: (2019)

An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Σ5(210) Grain Boundaries in Ni(3)Si
por: Friák, Martin, et al.
Publicado: (2018)

An Ab Initio Study of Magnetism in Disordered Fe-Al Alloys with Thermal Antiphase Boundaries
por: Friák, Martin, et al.
Publicado: (2019)

The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry
por: Miháliková, Ivana, et al.
Publicado: (2022)

Best-Practice Aspects of Quantum-Computer Calculations: A Case Study of the Hydrogen Molecule
por: Miháliková, Ivana, et al.
Publicado: (2022)

The Effect of Hydrogen on the Stress-Strain Response in Fe(3)Al: An ab initio Molecular-Dynamics Study
por: Šesták, Petr, et al.
Publicado: (2021)

Impact of Antiphase Boundaries on Structural, Magnetic and Vibrational Properties of Fe(3)Al
por: Friák, Martin, et al.
Publicado: (2020)

Editorial for the Special Issue on Computational Quantum Physics and Chemistry of Nanomaterials
por: Šob, Mojmír
Publicado: (2020)

Phase Stability of Iron Nitride Fe(4)N at High Pressure—Pressure-Dependent Evolution of Phase Equilibria in the Fe–N System
por: Wetzel, Marius Holger, et al.
Publicado: (2021)

Electronic structure of disordered alloys, surfaces and interfaces
por: Turek, Ilja, et al.
Publicado: (1997)

CMOS circuits for electromagnetic vibration transducers: interfaces for ultra-low voltage energy harvesting
por: Maurath, Dominic, et al.
Publicado: (2015)

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

Multiple Quantum Coherences Hyperpolarized at Ultra‐Low Fields
por: Buckenmaier, Kai, et al.
Publicado: (2019)

The route to ultra-low energy antihydrogen
por: Holzscheiter, M H, et al.
Publicado: (2004)

Ultra-low loss quantum photonic circuits integrated with single quantum emitters
por: Chanana, Ashish, et al.
Publicado: (2022)

Bioinspired Ultra-Low Adhesive Energy Interface for Continuous 3D Printing: Reducing Curing Induced Adhesion
por: Wu, L., et al.
Publicado: (2018)

Ultra low energy antiproton physics and LEAR
por: Eades, John
Publicado: (1990)

Physics with ultra low energy antiprotons: the anticyclotron
por: Eades, John, et al.
Publicado: (1989)

Development of detectors for ultra-low energy neutrinos
por: Cavoto, Gianluca
Publicado: (2022)

The Effect of Vacancies on Grain Boundary Segregation in Ferromagnetic fcc Ni
por: Mazalová, Martina, et al.
Publicado: (2020)

Heat transfer across dielectric-metallic interfaces and thin layers at low and ultra-low temperatures
por: Liberadzka, Joanna
Publicado: (2019)

Heat transfer at dielectric - metallic interfaces in the ultra-low temperature range
por: Liberadzka, J, et al.
Publicado: (2019)

The Quantum Gravity Imprint at Low Energies
por: Valenzuela, Irene
Publicado: (2022)

Theory-Guided Materials Design of Multi-Phase Ti-Nb Alloys with Bone-Matching Elastic Properties
por: Friák, Martin, et al.
Publicado: (2012)

Ultra-low threshold continuous-wave quantum dot mini-BIC lasers
por: Zhong, Hancheng, et al.
Publicado: (2023)

shinyheatmap: Ultra fast low memory heatmap web interface for big data genomics
por: Khomtchouk, Bohdan B., et al.
Publicado: (2017)

Ultra-low-voltage design of energy-efficient digital circuits
por: Reynders, Nele, et al.
Publicado: (2015)

Atomic collision and spectroscopy experiments with ultra-low-energy antiprotons
por: Torii, Hiroyuki A, et al.
Publicado: (2009)

Nuclear interferometry from low energy to ultra-relativistic nucleus-nucleus collisions
por: Erazmus, B, et al.
Publicado: (1996)

Quantum Dynamics and Kinetics of the F + H(2) and F + D(2) Reactions at Low and Ultra-Low Temperatures
por: De Fazio, Dario, et al.
Publicado: (2019)

Measurement and Simulation of Ultra-Low-Energy Ion–Solid Interaction Dynamics
por: Titze, Michael, et al.
Publicado: (2023)

Combined quantum tunnelling and dielectrophoretic trapping for molecular analysis at ultra-low analyte concentrations
por: Tang, Longhua, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_39339fcp7qdbcs28g07025tkof