LEADER 04644nam 2201261z- 450 001 9910585943503321 005 20231214133518.0 035 $a(CKB)5600000000483045 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/91181 035 $a(EXLCZ)995600000000483045 100 $a20202208d2022 |y 0 101 0 $aeng 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aSimulation and Modeling of Nanomaterials 210 $aBasel$cMDPI - Multidisciplinary Digital Publishing Institute$d2022 215 $a1 electronic resource (270 p.) 311 $a3-0365-4739-8 311 $a3-0365-4740-1 330 $aThis 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. 606 $aResearch & information: general$2bicssc 606 $aPhysics$2bicssc 610 $asingle nanowires 610 $asilicon 610 $adual shells 610 $aoff-resonance 610 $aabsorption 610 $aphotocurrent 610 $amagnetism 610 $atransition-metal oxide clusters 610 $aDFT calculations 610 $astructure 610 $aelectronic properties 610 $aLGD theory 610 $apolarization 610 $ananoscale ferroelectrics 610 $akinetics 610 $ahomogeneous switching 610 $acomputer simulation 610 $afitting 610 $adiphenylalanine 610 $apeptide nanotubes 610 $aself-assembly 610 $awater molecules 610 $aDFT 610 $amolecular modelling 610 $asemi-empirical methods 610 $achirality 610 $aIr-modified MoS2 610 $adecomposition components of SF6 610 $aadsorption and sensing 610 $aatomistic simulation 610 $acore?shell bi-magnetic nanoparticles 610 $aMonte Carlo simulation 610 $ainterfacial exchange 610 $aterahertz 610 $agraphene 610 $aplasmons 610 $aDrude absorption 610 $apolarization conversion 610 $ayield surface 610 $aplastic flow 610 $acrystal plasticity 610 $apolycrystalline aluminum 610 $adipeptides 610 $ahelical structures 610 $amolecular modeling 610 $adipole moments 610 $atunnel junction 610 $amachine learning 610 $aIII-nitride 610 $ahydroxyapatite 610 $amodeling 610 $adensity functional theory 610 $adefects 610 $avacancies 610 $asubstitutions 610 $astructural and optical properties 610 $aband gap 610 $aelectronic density of states 610 $ananomaterials 610 $aplasmon-induced transparency 610 $astrontium titanate 610 $aslow light 610 $airon doping 610 $ahydroxyapatite bioceramics 610 $ahybrid density functional 610 $aX-ray absorption spectroscopy 610 $aphenylalanine 610 $aprotein secondary structure 610 $aoptoelectronic devices 610 $ananostructured polymer film 610 $aantireflection coating 610 $afinite-difference time-domain method 610 $aferroelectrics 610 $aheterostructures 610 $adomains 610 $anegative capacitance 615 7$aResearch & information: general 615 7$aPhysics 700 $aBystrov$b Vladimir S$4edt$01313412 702 $aBystrov$b Vladimir S$4oth 906 $aBOOK 912 $a9910585943503321 996 $aSimulation and Modeling of Nanomaterials$93031399 997 $aUNINA