Time-Dependent Density-Functional Theory PDF Download

Author: Carsten Ullrich
Publisher: Oxford University Press
ISBN: 0199563020
Category : Science
Languages : en
Pages : 541

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Book Description
Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.

Author: International Atomic Energy Agency
Publisher:
ISBN: 9789201029164
Category : Technology & Engineering
Languages : en
Pages : 0

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Book Description
This publication presents a comprehensive overview of the technologies involved in the production of cyclotron based 99mTc. These would include techniques relevant to preparation of targets, irradiation of targets under high beam currents, target processing, target recovery and quality control of the final product. The publication provides broad information, well supported with references, on improved production routes and improved separation and purification of cyclotron based 99mTc. These approaches achieve high specific activity and chemical purity of 99mTc suitable for labelling molecules of medical interest and also enable spare capacity to be available at medical cyclotron centres. The readership of this publication is scientists interested in translating this technology to practice, technologists already working with cyclotrons wanting to enhance the utility of the existing machines and managers who are in the process of setting up facilities in their countries. Students working towards higher level degrees in related fields may also benefit from this publication.

Author: International Atomic Energy Agency
Publisher:
ISBN: 9789201078209
Category :
Languages : en
Pages : 268

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Book Description
This publication evaluates the different coolant options considered for nuclear applications with a fast neutron spectrum (i.e. fusion, fission and accelerators), compiles the latest information in the field and identifies research needs.

Author: Gerry D. Moan
Publisher: ASTM International
ISBN: 0803128959
Category : Nuclear fuel claddings
Languages : en
Pages : 891

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Book Description
Annotation The 41 papers of this proceedings volume were first presented at the 13th symposium on Zirconium in the Nuclear Industry held in Annecy, France in June of 2001. Many of the papers are devoted to material related issues, corrosion and hydriding behavior, in-reactor studies, and the behavior and properties of Zr alloys used in storing spent fuel. Some papers report on studies of second phase particles, irradiation creep and growth, and material performance during loss of coolant and reactivity initiated accidents. Annotation copyrighted by Book News, Inc., Portland, OR.

Author: Tatjana Jevremovic
Publisher: Springer Science & Business Media
ISBN: 0387856080
Category : Technology & Engineering
Languages : en
Pages : 558

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Book Description
Nuclear engineering plays an important role in various industrial, health care, and energy processes. Modern physics has generated its fundamental principles. A growing number of students and practicing engineers need updated material to access the technical language and content of nuclear principles. "Nuclear Principles in Engineering, Second Edition" is written for students, engineers, physicians and scientists who need up-to-date information in basic nuclear concepts and calculation methods using numerous examples and illustrative computer application areas. This new edition features a modern graphical interpretation of the phenomena described in the book fused with the results from research and new applications of nuclear engineering, including but not limited to nuclear engineering, power engineering, homeland security, health physics, radiation treatment and imaging, radiation shielding systems, aerospace and propulsion engineering, and power production propulsion.

Author: Turab Lookman
Publisher: Springer
ISBN: 3319994654
Category : Science
Languages : en
Pages : 266

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Book Description
This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging open questions as well as future directions in the application of data science to materials problems are sketched. Computational and experimental facilities today generate vast amounts of data at an unprecedented rate. The book gives guidance to discover new knowledge that enables materials innovation to address grand challenges in energy, environment and security, the clearer link needed between the data from these facilities and the theory and underlying science. The role of inference and optimization methods in distilling the data and constraining predictions using insights and results from theory is key to achieving the desired goals of real time analysis and feedback. Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts. This is especially the case as we enter a new era of big data in materials science with the planning of future experimental facilities such as the Linac Coherent Light Source at Stanford (LCLS-II), the European X-ray Free Electron Laser (EXFEL) and MaRIE (Matter Radiation in Extremes), the signature concept facility from Los Alamos National Laboratory. These facilities are expected to generate hundreds of terabytes to several petabytes of in situ spatially and temporally resolved data per sample. The questions that then arise include how we can learn from the data to accelerate the processing and analysis of reconstructed microstructure, rapidly map spatially resolved properties from high throughput data, devise diagnostics for pattern detection, and guide experiments towards desired targeted properties. The authors are an interdisciplinary group of leading experts who bring the excitement of the nascent and rapidly emerging field of materials informatics to the reader.

Author: C. Barry Carter
Publisher: Springer
ISBN: 3319266519
Category : Technology & Engineering
Languages : en
Pages : 543

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Book Description
This text is a companion volume to Transmission Electron Microscopy: A Textbook for Materials Science by Williams and Carter. The aim is to extend the discussion of certain topics that are either rapidly changing at this time or that would benefit from more detailed discussion than space allowed in the primary text. World-renowned researchers have contributed chapters in their area of expertise, and the editors have carefully prepared these chapters to provide a uniform tone and treatment for this exciting material. The book features an unparalleled collection of color figures showcasing the quality and variety of chemical data that can be obtained from today’s instruments, as well as key pitfalls to avoid. As with the previous TEM text, each chapter contains two sets of questions, one for self assessment and a second more suitable for homework assignments. Throughout the book, the style follows that of Williams & Carter even when the subject matter becomes challenging—the aim is always to make the topic understandable by first-year graduate students and others who are working in the field of Materials Science Topics covered include sources, in-situ experiments, electron diffraction, Digital Micrograph, waves and holography, focal-series reconstruction and direct methods, STEM and tomography, energy-filtered TEM (EFTEM) imaging, and spectrum imaging. The range and depth of material makes this companion volume essential reading for the budding microscopist and a key reference for practicing researchers using these and related techniques.

Author: Murthy S. Gudipati
Publisher: Springer Science & Business Media
ISBN: 1461430763
Category : Science
Languages : en
Pages : 658

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Book Description
The role of laboratory research and simulations in advancing our understanding of solar system ices (including satellites, KBOs, comets, and giant planets) is becoming increasingly important. Understanding ice surface radiation processing, particle and radiation penetration depths, surface and subsurface chemistry, morphology, phases, density, conductivity, etc., are only a few examples of the inventory of issues that are being addressed by Earth-based laboratory research. As a response to the growing need for cross-disciplinary dialog and communication in the Planetary Ices science community, this book aims to achieve direct dialog and foster focused collaborations among the observational, modeling, and laboratory research communities.

Author: Matthieu Hamel
Publisher: Springer Nature
ISBN: 3030734889
Category : Science
Languages : en
Pages : 647

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Book Description
This book introduces the physics and chemistry of plastic scintillators (fluorescent polymers) that are able to emit light when exposed to ionizing radiation, discussing their chemical modification in the early 1950s and 1960s, as well as the renewed upsurge in interest in the 21st century. The book presents contributions from various researchers on broad aspects of plastic scintillators, from physics, chemistry, materials science and applications, covering topics such as the chemical nature of the polymer and/or the fluorophores, modification of the photophysical properties (decay time, emission wavelength) and loading of additives to make the material more sensitive to, e.g., fast neutrons, thermal neutrons or gamma rays. It also describes the benefits of recent technological advances for plastic scintillators, such as nanomaterials and quantum dots, which allow features that were previously not achievable with regular organic molecules or organometallics.

Author: Karl R. Whittle
Publisher:
ISBN: 9780750311052
Category : Technology & Engineering
Languages : en
Pages : 0

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Book Description
Annotation 'Nuclear Materials Science' takes students from understanding standard materials science and engineering and uses it as a base to work from in teaching the additional requirements of nuclear engineering science.