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Catalytic Transformation of Renewables (Olefin, Bio-sourced, et. al)
| Catalytic Transformation of Renewables (Olefin, Bio-sourced, et. al) |
| Autore | Dimitratos Nikolaos |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (248 p.) |
| Soggetto topico |
Research & information: general
Technology: general issues |
| Soggetto non controllato |
furfural
MPV reaction acid-base characterization methylbutynol test reaction Fischer-Tropsch synthesis Co/SBA-15 pore size pore length dry gel conversion MFI zeolite particle sizes silica sources hydrodeoxygenation biocatalysis bio-based platform chemicals furans reduction whole cells nickel phosphide cellobiose sorbitol MCM-41 hydrolytic hydrogenation zeolites catalysis solid acid solid base chemical modification alkylation glycosidation 2 methyl-furan catalyst design iron magnesium oxide catalytic hydrogen transfer reduction methanol diffusion ab initio industrial design H-ZSM-5 multiscale modeling adiabatic reactor zeolite catalysis hydrogenation palladium nanoparticles capping agent sol-immobilization furoic acid gold hydrotalcite oxidation bimetallic nanoparticles base-free green oxidation embedded catalysts biomass Eucalyptus globulus wood cross-flow autohydrolysis kinetic modeling hemicellulose-derived products gold catalysis selective oxidation colloidal synthesis 5-(hydroxymethyl)furfural 2,5-furandicarboxylic acid particle size biomass conversion in-situ synthesis Sn-Beta zeolite isomorphous substitution glucose HMF oxidative condensation furan-2-acrolein Pd-based catalysts |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Catalytic Transformation of Renewables |
| Record Nr. | UNINA-9910557678203321 |
Dimitratos Nikolaos
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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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 electronic resource (198 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
BTF
TATB CL-20 cocrystal energetic materials shock sensitivity large-scale ab initio molecular dynamics simulations AlN low-dimensional material atomic cluster electronic structure HSE06 hybrid functional CsPbBr3 CsPb2Br5 solvent polarity CTAB phase transition high-entropy alloys generalized stacking fault energy first-principles interfacial energy surface energy nanoparticles gold ab initio molecular mechanics fcc Ni tilt Σ5(210) grain boundary vacancy Si and Al impurity grain boundary energy segregation energy defects binding energies magnetism ferroelectricity SnTe nanoribbon nanoflakes critical size density-functional theory thermodynamics silver decahedron excess energy ab initio calculations dye-sensitized solar cells azobenzene density functional theory topological insulators magnetic doping defects environment and health first-principles physics DFT hazardous gas |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557583503321 |
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Šob Mojmír
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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First-Principles Prediction of Structures and Properties in Crystals
| First-Principles Prediction of Structures and Properties in Crystals |
| Autore | Kurzydlowski Dominik |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (128 p.) |
| 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 | 3-03921-671-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367750203321 |
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Kurzydlowski Dominik
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Modeling and Experimental Characterization of Nanocomposite Materials
| Modeling and Experimental Characterization of Nanocomposite Materials |
| Autore | Hadavinia Homayoun |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 electronic resource (130 p.) |
| Soggetto non controllato |
ab initio
critical yield strength carbon nanotube impact buckling elasticity molecular dynamics simulation magnetism coarse-grained model 3D fiber-metal laminates mechanical property interface nanocomposites interface force fields YN graphene/Fe composite cohesive element stability ScN delamination propagation interfaces graphene nanoplatelets nanoindentation pressure molecular dynamics piezoelectric property temperature effect Fe-Al hardness equivalent fiber disorder Fe3Al elastic modulus delamination buckling CNT agglomeration CNTs/epoxy nanocomposites boron nitride honeycomb |
| ISBN | 3-03928-633-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910404089903321 |
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Hadavinia Homayoun
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| MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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New Advances in High-Entropy Alloys
| New Advances in High-Entropy Alloys |
| Autore | Zhang Yong |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 electronic resource (652 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
high-entropy alloys
alloys design lightweight alloys high entropy alloys elemental addition annealing treatment magnetic property microhardness in situ X-ray diffraction grain refinement thermoelectric properties scandium effect HEA high-entropy alloy CCA compositionally complex alloy phase composition microstructure wear behaviour metal matrix composites mechanical properties high-entropy films phase structures hardness solid-solution interstitial phase transmission electron microscopy compositionally complex alloys CrFeCoNi(Nb,Mo) corrosion sulfuric acid sodium chloride entropy multicomponent differential scanning calorimetry (DSC) specific heat stacking-fault energy density functional theory nanoscaled high-entropy alloys nanodisturbances phase transformations atomic-scale unstable mechanical alloying spark plasma sintering nanoprecipitates annealing phase constituent ion irradiation hardening behavior volume swelling medium entropy alloy high-pressure torsion partial recrystallization tensile strength high-entropy alloys (HEAs) phase constitution magnetic properties Curie temperature phase transition precipitation strengthening coherent microstructure conventional alloys nanocrystalline materials high entropy alloy sputtering deformation and fracture strain rate sensitivity liquid phase separation immiscible alloys HEAs multicomponent alloys miscibility gaps multi-principal element alloys MPEAs complex concentrated alloys CCAs electron microscopy plasticity methods plasticity serration behavior alloy design structural metals CALPHAD solid-solution alloys lattice distortion phase transformation (CoCrFeNi)100−xMox alloys corrosion behavior gamma double prime nanoparticles elemental partitioning atom probe tomography first-principles calculations bcc phase stability composition scanning laser cladding high-entropy alloy coating AZ91D magnesium alloy wear kinetics deformation thermal expansion diamond composite powder metallurgy additive manufacturing low-activation high-entropy alloys (HEAs) high-temperature structural alloys microstructures compressive properties heat-softening resistance tensile creep behavior microstructural evolution creep mechanism first-principles calculation maximum entropy elastic property mechanical property recrystallization laser metal deposition elemental powder graded material refractory high-entropy alloys elevated-temperature yield strength solid solution strengthening effect bulk metallic glass complex stress field shear band flow serration deformation mechanism ab initio configuration entropy matrix formulation cluster expansion cluster variation method monte carlo thermodynamic integration (AlCrTiZrV)-Six-N films nanocomposite structure refractory high entropy alloys medium entropy alloys, mechanical properties thin films deformation behaviors nanocrystalline coating interface mechanical characterization high pressure polymorphic transition solidification eutectic dendrites hierarchical nanotwins precipitation kinetics strengthening mechanisms elongation prediction welding Hall–Petch (H–P) effect lattice constants high-entropy ceramic solid-state diffusion phase evolution mechanical behaviors high-entropy film low-activation alloys |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557430203321 |
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Zhang Yong
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors
| Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| Autore | Sebbar Nadia |
| Pubbl/distr/stampa | KIT Scientific Publishing, 2006 |
| Descrizione fisica | 1 electronic resource (VIII, 219 p. p.) |
| Soggetto non controllato |
ab initio
Transition state theory Thermochemistry DFT Dioxin Dibenzofuran Groupe additivity Kinetics QRRK Isodesmic reactions |
| ISBN | 1000005428 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346944403321 |
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Sebbar Nadia
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| KIT Scientific Publishing, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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