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First-Principles Prediction of Structures and Properties in Crystals / Dominik Kurzydlowski, Andreas Hermann
First-Principles Prediction of Structures and Properties in Crystals / Dominik Kurzydlowski, Andreas Hermann
Autore Kurzydlowski Dominik
Pubbl/distr/stampa MDPI - Multidisciplinary Digital Publishing Institute, 2019
Descrizione fisica 1 electronic resource (128 p.)
Soggetto topico Chemistry
Soggetto non controllato ab initio
magnetic Lennard-Jones
superconductivity
global optimisation
electrical engineering
first-principles
semiconductors
refractory metals
genetic algorithm
DFT
crystal structure prediction
electronic structure
indium arsenide
van der Waals corrections
charged defects
Ir-based intermetallics
point defects
electronic properties
learning algorithms
half-Heusler alloy
molecular crystals
chlorine
optical properties
ab initio calculations
magnetic properties
structure prediction
thermoelectricity
high-pressure
density functional theory
magnetic materials
structural fingerprint
crystal structure
semihard materials
silver
formation energy
Heusler alloy
battery materials
elastic properties
ISBN 9783039216710
3039216716
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910367750203321
Kurzydlowski Dominik  
MDPI - Multidisciplinary Digital Publishing Institute, 2019
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
High Entropy Materials: Challenges and Prospects
High Entropy Materials: Challenges and Prospects
Autore Li Weidong
Pubbl/distr/stampa Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Descrizione fisica 1 online resource (126 p.)
Soggetto topico Technology: general issues
Soggetto non controllato alloy design
binders
biomedical materials
bulk metallic glass (BMG)
carbide
face-centered cubic (FCC) structure
fatigue behavior
high entropy alloys
high-entropy alloy
high-entropy alloys
high-entropy carbides
high-entropy hardmetals
industrial-grade zirconium raw material
intermetallic
laser beam welding
mechanical properties
microstructure
n/a
phase stability
refractory metals
saturation magnetostriction coefficient
soft magnetic properties
TiC
tribological properties
wear mechanism
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Altri titoli varianti High Entropy Materials
Record Nr. UNINA-9910557350203321
Li Weidong  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui