Computational Approaches for Chemistry Under Extreme Conditions PDF Download
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Author: Nir Goldman
Publisher: Springer
ISBN: 3030056007
Category : Science
Languages : en
Pages : 297
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Book Description
This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.
Author: Nir Goldman
Publisher: Springer
ISBN: 3030056007
Category : Science
Languages : en
Pages : 297
Get Book Here
Book Description
This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.
Author: Zi-Kui Liu
Publisher: Cambridge University Press
ISBN: 0521198968
Category : Science
Languages : en
Pages : 261
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Book Description
Integrates fundamental concepts with experimental data and practical applications, including worked examples and end-of-chapter problems.
Author: Daniel Errandonea
Publisher: MDPI
ISBN: 3038971316
Category : Science
Languages : en
Pages : 331
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Book Description
High-Pressure Studies of Crystalline Materials.
Author: A. K. Tyagi
Publisher: Elsevier
ISBN: 0128014423
Category : Technology & Engineering
Languages : en
Pages : 872
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Book Description
Materials Under Extreme Conditions: Recent Trends and Future Prospects analyzes the chemical transformation and decomposition of materials exposed to extreme conditions, such as high temperature, high pressure, hostile chemical environments, high radiation fields, high vacuum, high magnetic and electric fields, wear and abrasion related to chemical bonding, special crystallographic features, and microstructures. The materials covered in this work encompass oxides, non-oxides, alloys and intermetallics, glasses, and carbon-based materials. The book is written for researchers in academia and industry, and technologists in chemical engineering, materials chemistry, chemistry, and condensed matter physics. - Describes and analyzes the chemical transformation and decomposition of a wide range of materials exposed to extreme conditions - Brings together information currently scattered across the Internet or incoherently dispersed amongst journals and proceedings - Presents chapters on phenomena, materials synthesis, and processing, characterization and properties, and applications - Written by established researchers in the field
Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1119356040
Category : Science
Languages : en
Pages : 392
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Book Description
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise
Author:
Publisher: ScholarlyEditions
ISBN: 1490109021
Category : Computers
Languages : en
Pages : 1160
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Book Description
Issues in Computation / 2013 Edition is a ScholarlyEditions™ book that delivers timely, authoritative, and comprehensive information about Computing. The editors have built Issues in Computation: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Computing in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Computation / 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Author: Jamie Kimberley
Publisher: Springer
ISBN: 3319950894
Category : Science
Languages : en
Pages : 345
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Book Description
Dynamic Behavior of Materials, Volume 1 of the Proceedings of the 2018 SEM Annual Conference & Exposition on Experimental and Applied Mechanics, the first volume of eight from the Conference, brings together contributions to this important area of research and engineering. The collection presents early findings and case studies on fundamental and applied aspects of Experimental Mechanics, including papers on: Synchrotron Applications/Advanced Dynamic Imaging Quantitative Visualization of Dynamic Events Novel Experimental Techniques Dynamic Behavior of Geomaterials Dynamic Failure & Fragmentation Dynamic Response of Low Impedance Materials Hybrid Experimental/Computational Studies Shock and Blast Loading Advances in Material Modeling Industrial Applications
Author: Yoshio Kono
Publisher: Elsevier
ISBN: 0128112743
Category : Science
Languages : en
Pages : 516
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Book Description
Magmas under Pressure: Advances in High-Pressure Experiments on Structure and Properties of Melts summarizes recent advances in experimental technologies for studying magmas at high pressures. In the past decade, new developments in high-pressure experiments, particularly with synchrotron X-ray techniques, have advanced the study of magmas under pressure. These new experiments have revealed significant changes of structure and physical properties of magmas under pressure, which significantly improves our understanding of the behavior of magmas in the earth's interior. This book is an important reference, not only in the earth and planetary sciences, but also in other scientific fields, such as physics, chemistry, material sciences, engineering and in industrial applications, such as glass formation and metallurgical processing. - Includes research and examples of high-pressure technologies for studying the structure and properties of magma - Summarizes the current knowledge on the structure and properties of high-pressure magma - Highlights the importance of magma in understanding the evolution of the earth's interior
Author: Annalisa Martucci
Publisher: MDPI
ISBN: 3038424501
Category : Science
Languages : en
Pages : 145
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Book Description
This book is a printed edition of the Special Issue "New Insights in Stability, Structure and Properties of Porous Materials" that was published in Minerals
Author: David I.A. Millar
Publisher: Springer Science & Business Media
ISBN: 3642231322
Category : Technology & Engineering
Languages : en
Pages : 232
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Book Description
David I.A. Millar's thesis explores the effects of extreme conditions on energetic materials. His study identifies and structurally characterises new polymorphs obtained at high pressures and/or temperatures. The performance of energetic materials (pyrotechnics, propellants and explosives) can depend on a number of factors including sensitivity to detonation, detonation velocity, and chemical and thermal stability. Polymorphism and solid-state phase transitions may therefore have significant consequences for the performance and safety of energetic materials. In order to model the behaviour of these important materials effectively under operational conditions it is essential to obtain detailed structural information at a range of temperatures and pressures.
