Info
- Utilizzare la checkbox di selezione a fianco di ciascun documento per attivare le funzionalità di stampa, invio email, download nei formati disponibili del (i) record.
Computational Quantum Physics and Chemistry of Nanomaterials
| Computational Quantum Physics and Chemistry of Nanomaterials |
| Autore | Šob Mojmír |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (198 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
ab initio
ab initio calculations AlN atomic cluster azobenzene BTF CL-20 cocrystal critical size CsPb2Br5 CsPbBr3 CTAB decahedron defects defects binding energies density functional theory density-functional theory DFT dye-sensitized solar cells electronic structure energetic materials environment and health excess energy fcc Ni ferroelectricity first-principles first-principles physics generalized stacking fault energy gold grain boundary energy hazardous gas high-entropy alloys HSE06 hybrid functional interfacial energy large-scale ab initio molecular dynamics simulations low-dimensional material magnetic doping magnetism molecular mechanics n/a nanoflakes nanoparticles nanoribbon phase transition segregation energy shock sensitivity Si and Al impurity silver SnTe solvent polarity surface energy TATB thermodynamics tilt Σ5(210) grain boundary topological insulators vacancy |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557583503321 |
Šob Mojmír
|
||
| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Crystal Plasticity at Micro- and Nano-scale Dimensions
| Crystal Plasticity at Micro- and Nano-scale Dimensions |
| Autore | Armstrong Ronald W |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (322 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
ab initio calculations
activation volume alloys anisotropic elasticity anode B2 phase BCC Fe nanowires bi-crystal cohesive strength compression conversion reaction copper single crystal crack growth cracking crystal plasticity simulations crystal plasticity theory crystal size dependencies crystal strength crystallographic slip cutting theory cyclic deformation de-twinning discrete dislocation pile-up dislocation dislocation emission dislocation models dislocation plasticity dislocations elastic properties fatigue fatigue crack initiation FeCrAl fracture fracture mechanics free surface geometrically necessary dislocations grain boundaries grain boundary grain growth Hall-Petch relation hardness HMX hydrogen embrittlement in situ electron microscopy IN718 alloy indentation creep indentation size effect interfacial delamination intermetallic compounds internal stress internal stresses iron kitagawa-takahashi diagram lattice distortive transformations linear complexions lithium ion battery magnesium mechanical property metals and alloys micro-crystals micro-pillar micromechanical testing micropillar miniaturised testing molecular dynamics molecular dynamics simulation molecular dynamics simulations multiaxial loading nano-crystals nano-indentation nano-polycrystals nano-wires nanocrystalline nanocutting nanoflower nanomaterials nucleation persistent slip band phase-field simulation pile-ups pillars rafting behavior rapid solidification size effect strain hardening strain hardening behavior strain rate strain rate sensitivity strength surface hard coating synchrotron radiation X-ray diffraction temperature effect theoretical model thermal stability tin sulfide twin boundaries twinning ultrafine-grained materials void formation whiskers |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557446503321 |
|
Armstrong Ronald W
|
||
| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
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 | ||
| ||
Pressure-Induced Phase Transformations (Volume II)
| Pressure-Induced Phase Transformations (Volume II) |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2023 |
| Descrizione fisica | 1 online resource (306 p.) |
| Soggetto topico |
Physics
Research and information: general |
| Soggetto non controllato |
ab initio
ab initio calculations alpha-epsilon antiferroelectric band gap charge density wave chemical components chemical substitution copper halides corresponding states CrVO4-type structure density functional theory di-p-tolyl disulfide DyScO3 elastic anomalies elasticity electronic properties electronic transition elemental solids enthalpy difference components equation of state ferroelectric FeVO4 under pressure first principles first principles calculations first-principles garnet group VB transition metals hardening-like effect hidden polymorph high pressure high pressure and high temperature high pressure diffraction high-pressure DFT high-pressure effects high-pressure polymorph high-pressure studies HPHT diamond inclusion infrared spectroscopy iron kinetic lines LaAgSb2 LaAuSb2 lattice dynamics luminescence mechanical properties metastability molecular crystals molecular dynamics simulations niobate nonequilibrium conditions phase boundaries phase diagram phase relations phase stability phase transformation phase transition phase transitions phonons PL mapping plasticity pressure Raman Raman modes Raman scattering Raman spectroscopy ramp rare earth orthophosphate rare earth tantalates relative stability resistivity shock wave stability structural transition synchrotron radiation tensile strain topological analysis of bonds vibrational properties Wigner-Seitz radii X-ray diffraction |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Pressure-Induced Phase Transformations |
| Record Nr. | UNINA-9910743272903321 |
| MDPI - Multidisciplinary Digital Publishing Institute, 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||