Computational Research and Modeling in Materials Science and Materials Application
Published on 17. November 2025
Book
Paperback/Softback
166 pages
978-3-0364-0950-4 (ISBN)
Description
This special edition presents a collection of studies dedicated to the computational modelling, simulation, and functional properties analysis of advanced materials across various engineering domains and scientific research. The contributions illustrate how computational tools, numerical methods, and theoretical approaches contribute to materials design, their processing optimisation, and performance evaluation. The special edition aims to serve as a valuable reference for researchers, engineers, and students engaged in computational materials science, applied physics, and engineering technologies.
More details
Language
English
Place of publication
Zurich
Switzerland
Target group
Professional and scholarly
Illustrations
Illustrations
Dimensions
Height: 240 mm
Width: 170 mm
Thickness: 8 mm
Weight
420 gr
ISBN-13
978-3-0364-0950-4 (9783036409504)
DOI
10.4028/b-LB0zZq
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
Jav Davaasambuu | Levan Chkhartishvili | Yurii Otrosh
Computational Research and Modeling in Materials Science and Materials Application
E-Book
11/2025
Trans Tech Publications Ltd
€155.15
Available for download
Content
Preface
Chapter 1: Computational Materials Physics
The Time-Dependent Hartree-Fock Formalism of the Double Excited States of the Helium Atom
Direct Determination of the Photoelectron Momentum Distribution from the Wave Function
Direct Determination of the Fully Differential Cross Section by the Time-Dependent Wave Function
First-Principles Study of Structural, Electronic and Optical Properties of Trans-4-(Trifluoromethyl) Cinnamic Acid
Modeling of Sound Propagation in Liquid Medium Depending on the Size of Air Bubbles
Chapter 2: Numerical Study of Structural Materials and Technologies
Predicting Engineering Stress-Strain Curve of AZ91/Graphene Composites with Linear Regression Machine Learning
Optimization of Honeycomb Structures for Sandwich Panels by Response Surface Methodology (RSM)
Evaluation of Different Die Angles in the ECAP Process of AA6061 Using Simulation Models
Chapter 3: Modelling Particle Behaviour in Technological Flow
Testing Micro- and Nanoparticles in a Dynamic Environment
Application of Numerical Methods for the Analysis of Particle Agglomeration and Dispersing Processes
Development of a Computer-Simulation Model for Particle Filling Based on Molecular Dynamics
Chapter 4: Materials for Biomedical Applications
New Trends in Enhancing Biological Efficacy and Safety of Proton Therapy: State of Art and Prospective
Development and Testing of Components for Combined Cancer Treatment in Strongly Localized Therapy: Georgian Experience
Review on Spectroscopy Methods for Studying Viral Nanomaterials
Study of Reduction Process of Silver Ions on G4 PAMAM (Polyamidoamine) Dendrimers with Different Terminal Functional Groups: NH2 and OH
Chapter 1: Computational Materials Physics
The Time-Dependent Hartree-Fock Formalism of the Double Excited States of the Helium Atom
Direct Determination of the Photoelectron Momentum Distribution from the Wave Function
Direct Determination of the Fully Differential Cross Section by the Time-Dependent Wave Function
First-Principles Study of Structural, Electronic and Optical Properties of Trans-4-(Trifluoromethyl) Cinnamic Acid
Modeling of Sound Propagation in Liquid Medium Depending on the Size of Air Bubbles
Chapter 2: Numerical Study of Structural Materials and Technologies
Predicting Engineering Stress-Strain Curve of AZ91/Graphene Composites with Linear Regression Machine Learning
Optimization of Honeycomb Structures for Sandwich Panels by Response Surface Methodology (RSM)
Evaluation of Different Die Angles in the ECAP Process of AA6061 Using Simulation Models
Chapter 3: Modelling Particle Behaviour in Technological Flow
Testing Micro- and Nanoparticles in a Dynamic Environment
Application of Numerical Methods for the Analysis of Particle Agglomeration and Dispersing Processes
Development of a Computer-Simulation Model for Particle Filling Based on Molecular Dynamics
Chapter 4: Materials for Biomedical Applications
New Trends in Enhancing Biological Efficacy and Safety of Proton Therapy: State of Art and Prospective
Development and Testing of Components for Combined Cancer Treatment in Strongly Localized Therapy: Georgian Experience
Review on Spectroscopy Methods for Studying Viral Nanomaterials
Study of Reduction Process of Silver Ions on G4 PAMAM (Polyamidoamine) Dendrimers with Different Terminal Functional Groups: NH2 and OH