Simulation and Modeling of Nanomaterials
This Special Issue focuses on computational detailed studies (simulation, modeling, and calculations) of the structures, main properties, and peculiarities of the various nanomaterials (nanocrystals, nanoparticles, nanolayers, nanofibers, nanotubes, etc.) based on various elements, including organic...
I tiakina i:
| Hōputu: | Online |
|---|---|
| Reo: | Ingarihi |
| I whakaputaina: |
MDPI - Multidisciplinary Digital Publishing Institute
2022
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| Ngā marau: | |
| Urunga tuihono: | ONIX_20220812_9783036547398_60 |
| Ngā Tūtohu: |
Kāore He Tūtohu, Me noho koe te mea tuatahi ki te tūtohu i tēnei pūkete!
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| _version_ | 1869526289167155200 |
|---|---|
| collection | Directory of Open Access Books |
| description | This Special Issue focuses on computational detailed studies (simulation, modeling, and calculations) of the structures, main properties, and peculiarities of the various nanomaterials (nanocrystals, nanoparticles, nanolayers, nanofibers, nanotubes, etc.) based on various elements, including organic and biological components, such as amino acids and peptides. For many practical applications in nanoelectronics., such materials as ferroelectrics and ferromagnetics, having switching parameters (polarization, magnetization), are highly requested, and simulation of dynamics and kinetics of their switching are a very important task. An important task for these studies is computer modeling and computational research of the properties on the various composites of the other nanostructures with polymeric ferroelectrics and with different graphene-like 2-dimensional structures. A wide range of contemporary computational methods and software are used in all these studies. |
| format | Online |
| id | doab-20.500.12854ir-91181 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2022 |
| publishDateRange | 2022 |
| publishDateSort | 2022 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-911812024-03-28T03:32:44Z Simulation and Modeling of Nanomaterials Bystrov, Vladimir S. single nanowires silicon dual shells off-resonance absorption photocurrent magnetism transition-metal oxide clusters DFT calculations structure electronic properties LGD theory polarization nanoscale ferroelectrics kinetics homogeneous switching computer simulation fitting diphenylalanine peptide nanotubes self-assembly water molecules DFT molecular modelling semi-empirical methods chirality Ir-modified MoS2 decomposition components of SF6 adsorption and sensing atomistic simulation core–shell bi-magnetic nanoparticles Monte Carlo simulation interfacial exchange terahertz graphene plasmons Drude absorption polarization conversion yield surface plastic flow crystal plasticity polycrystalline aluminum dipeptides helical structures molecular modeling dipole moments tunnel junction machine learning III-nitride hydroxyapatite modeling density functional theory defects vacancies substitutions structural and optical properties band gap electronic density of states nanomaterials plasmon-induced transparency strontium titanate slow light iron doping hydroxyapatite bioceramics hybrid density functional X-ray absorption spectroscopy phenylalanine protein secondary structure optoelectronic devices nanostructured polymer film antireflection coating finite-difference time-domain method ferroelectrics heterostructures domains negative capacitance thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics This Special Issue focuses on computational detailed studies (simulation, modeling, and calculations) of the structures, main properties, and peculiarities of the various nanomaterials (nanocrystals, nanoparticles, nanolayers, nanofibers, nanotubes, etc.) based on various elements, including organic and biological components, such as amino acids and peptides. For many practical applications in nanoelectronics., such materials as ferroelectrics and ferromagnetics, having switching parameters (polarization, magnetization), are highly requested, and simulation of dynamics and kinetics of their switching are a very important task. An important task for these studies is computer modeling and computational research of the properties on the various composites of the other nanostructures with polymeric ferroelectrics and with different graphene-like 2-dimensional structures. A wide range of contemporary computational methods and software are used in all these studies. 2022-08-12T12:48:25Z 2022-08-12T12:48:25Z 2022 book ONIX_20220812_9783036547398_60 9783036547398 9783036547404 https://directory.doabooks.org/handle/20.500.12854/91181 eng image/jpeg Attribution 4.0 International https://mdpi.com/books/pdfview/book/5827 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-0365-4740-4 10.3390/books978-3-0365-4740-4 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783036547398 9783036547404 270 Basel open access |
| spellingShingle | single nanowires silicon dual shells off-resonance absorption photocurrent magnetism transition-metal oxide clusters DFT calculations structure electronic properties LGD theory polarization nanoscale ferroelectrics kinetics homogeneous switching computer simulation fitting diphenylalanine peptide nanotubes self-assembly water molecules DFT molecular modelling semi-empirical methods chirality Ir-modified MoS2 decomposition components of SF6 adsorption and sensing atomistic simulation core–shell bi-magnetic nanoparticles Monte Carlo simulation interfacial exchange terahertz graphene plasmons Drude absorption polarization conversion yield surface plastic flow crystal plasticity polycrystalline aluminum dipeptides helical structures molecular modeling dipole moments tunnel junction machine learning III-nitride hydroxyapatite modeling density functional theory defects vacancies substitutions structural and optical properties band gap electronic density of states nanomaterials plasmon-induced transparency strontium titanate slow light iron doping hydroxyapatite bioceramics hybrid density functional X-ray absorption spectroscopy phenylalanine protein secondary structure optoelectronic devices nanostructured polymer film antireflection coating finite-difference time-domain method ferroelectrics heterostructures domains negative capacitance thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics Simulation and Modeling of Nanomaterials |
| title | Simulation and Modeling of Nanomaterials |
| title_full | Simulation and Modeling of Nanomaterials |
| title_fullStr | Simulation and Modeling of Nanomaterials |
| title_full_unstemmed | Simulation and Modeling of Nanomaterials |
| title_short | Simulation and Modeling of Nanomaterials |
| title_sort | simulation and modeling of nanomaterials |
| topic | single nanowires silicon dual shells off-resonance absorption photocurrent magnetism transition-metal oxide clusters DFT calculations structure electronic properties LGD theory polarization nanoscale ferroelectrics kinetics homogeneous switching computer simulation fitting diphenylalanine peptide nanotubes self-assembly water molecules DFT molecular modelling semi-empirical methods chirality Ir-modified MoS2 decomposition components of SF6 adsorption and sensing atomistic simulation core–shell bi-magnetic nanoparticles Monte Carlo simulation interfacial exchange terahertz graphene plasmons Drude absorption polarization conversion yield surface plastic flow crystal plasticity polycrystalline aluminum dipeptides helical structures molecular modeling dipole moments tunnel junction machine learning III-nitride hydroxyapatite modeling density functional theory defects vacancies substitutions structural and optical properties band gap electronic density of states nanomaterials plasmon-induced transparency strontium titanate slow light iron doping hydroxyapatite bioceramics hybrid density functional X-ray absorption spectroscopy phenylalanine protein secondary structure optoelectronic devices nanostructured polymer film antireflection coating finite-difference time-domain method ferroelectrics heterostructures domains negative capacitance thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics |
| topic_facet | single nanowires silicon dual shells off-resonance absorption photocurrent magnetism transition-metal oxide clusters DFT calculations structure electronic properties LGD theory polarization nanoscale ferroelectrics kinetics homogeneous switching computer simulation fitting diphenylalanine peptide nanotubes self-assembly water molecules DFT molecular modelling semi-empirical methods chirality Ir-modified MoS2 decomposition components of SF6 adsorption and sensing atomistic simulation core–shell bi-magnetic nanoparticles Monte Carlo simulation interfacial exchange terahertz graphene plasmons Drude absorption polarization conversion yield surface plastic flow crystal plasticity polycrystalline aluminum dipeptides helical structures molecular modeling dipole moments tunnel junction machine learning III-nitride hydroxyapatite modeling density functional theory defects vacancies substitutions structural and optical properties band gap electronic density of states nanomaterials plasmon-induced transparency strontium titanate slow light iron doping hydroxyapatite bioceramics hybrid density functional X-ray absorption spectroscopy phenylalanine protein secondary structure optoelectronic devices nanostructured polymer film antireflection coating finite-difference time-domain method ferroelectrics heterostructures domains negative capacitance thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics |
| url | ONIX_20220812_9783036547398_60 |