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2020 (1)

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Book
Computational Quantum Physics and Chemistry of Nanomaterials
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Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field

Keywords

Research & information: general --- 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 --- 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


Book
Computational Quantum Physics and Chemistry of Nanomaterials
Author:
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

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Export citation

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Bookmark

Abstract

This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field


Book
Computational Quantum Physics and Chemistry of Nanomaterials
Author:
Year: 2021 Publisher: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute

Loading...
Export citation

Choose an application

Bookmark

Abstract

This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field


Book
Biomaterials for Bone Tissue Engineering
Author:
ISBN: 3039289667 3039289659 Year: 2020 Publisher: MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

Bone tissue engineering aims to develop artificial bone substitutes that partially or totally restore the natural regeneration capability of bone tissue lost under circumstances of injury, significant defects, or diseases such as osteoporosis. In this context, biomaterials are the keystone of the methodology. Biomaterials for bone tissue engineering have evolved from biocompatible materials that mimic the physical and chemical environment of bone tissue to a new generation of materials that actively interacts with the physiological environment, accelerating bone tissue growth. Mathematical modelling and simulation are important tools in the overall methodology. This book presents an overview of the current investigations and recent contributions in the field of bone tissue engineering. It includes several successful examples of multidisciplinary collaboration in this transversal area of research. The book is intended for students, researchers, and professionals of a number of disciplines, such as engineering, mathematics, physics, chemistry, biomedicine, biology, and veterinary. The book is composed of an editorial section and 16 original research papers authored by leading researchers of this discipline from different laboratories across the world

Keywords

bone morphogenesis proteins --- n/a --- finite element --- bone tissue engineering --- electrically active implants --- prediction marker --- vertebra --- direct current electric field --- loose sintering --- Lattice Boltzmann method --- Pelvis --- automatic segmentation --- MSCs --- additive manufacturing --- finite element method --- bioelectromagnetism --- optimization --- scaffold design --- cone beam computed tomography --- computational modelling --- bone regeneration --- oxygen delivery --- biomaterials --- bone tissue --- spark plasma sintering --- critical size defect --- musculoskeletal modelling --- resonance frequency analysis --- minipig --- numerical methods in bioengineering --- computational fluid dynamics --- maxillofacial --- osteoporosis --- sliding window --- osseointegration --- mass transfer --- substrate-mediated electrical stimulation --- Fixation design --- dental implants --- human dental pulp stem cells --- numerical results --- elastoplasticity --- bone tissue regeneration --- finite-element simulation --- 3D-printed implant --- selective laser melting --- Lagrangian scalar tracking --- cortical bone --- micromechanics --- trabeculae --- finite element modelling --- damage --- titanium --- powder metallurgy --- pelvis --- biomechanics --- computational mechanobiology --- culturing protocol --- bone adaptation --- stem cell --- Bone tumor --- trabecular bone score --- Xenografts --- triply periodic minimal surfaces --- computed tomography --- multiscale analysis --- cartilage --- digital image correlation --- osteo-differentiation --- wollastonite --- transport --- finite element analysis --- bone marrow --- fracture risk --- von Mises stress --- electric stimulation --- mechanical behaviour --- adipogenesis --- biomaterial applications --- computational mechanics --- Ti6Al4V scaffolds --- finite elements --- Otsu’s method --- 3D virtual surgical plan --- Otsu's method

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