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Shock Compression and Chemical Reaction of Multifunctional Energetic Structural Materials provides an exhaustive overview of the mechanics, kinetics and physio-chemical behavior caused by shock-induced reaction and shock compression on multifunctional energetic structural materials (MESMs). The book covers foundational knowledge on shock waves and Equation of State (EOS), shock parameters, reaction kinetics, impedance matching, and more. In addition, it looks at more advanced subjects such as experimental analysis methods, numerical modeling techniques (from quasi-static to high-strain rates, including void collapse models), how EOS changes when reaction and detonation are involved, and more. Final chapters cover how to obtain EOS curves from experiments and various testing methods and numerical models for non-reactive porous solids and particulate composites, including 1-D reactive flow models. Flyer plate impact experiments are also discussed, as are the applications of hydrocodes and Lagrangian-framework-based methods. - Provides an ideal balance of modeling concepts and experimental techniques - Looks at mechanical testing processes of MESMs - Outlines sample preparation, testing of samples, obtaining EOS from the testing, and using EOS for simulation - Covers modeling for pore collapse, constituent material, and at a granular level
The papers collected together in this volume constitute a review of recent research on the response of condensed matter to dynamic high pressures and temperatures. Inlcuded are sections on equations of state, phase transitions, material properties, explosive behavior, measurement techniques, and optical and laser studies. Recent developments in this area such as studies of impact and penetration phenomenology, the development of materials, especially ceramics and molecular dynamics and Monte Carlo simulations are also covered. These latest advances, in addition to the many other results and topics covered by the authors, serve to make this volume the most authoritative source for the shock wave physics community.
Provides comprehensive coverage of laser-induced ionization processes for mass spectrometry analysis Drawing on the expertise of the leading academic and industrial research groups involved in the development of photoionization methods for mass spectrometry, this reference for analytical scientists covers both the theory and current applications of photo-induced ionization processes. It places widely used techniques such as MALDI side by side with more specialist approaches such as REMPI and RIMS, and discusses leading edge developments in ultrashort laser pulse desorption, to give readers a complete picture of the state of the technology. Photoionization and Photo-Induced Processes in Mass Spectrometry: Fundamentals and Applications starts with a complete overview of the fundamentals of the technique, covering the basics of the gas phase ionization as well as those of laser desorption and ablation, pulse photoionization, and single particle ionization. Numerous application examples from different analytical fields are described that showcase the power and the wide scope of photo ionization in mass spectrometry. -The first general reference book on photoionization techniques for mass spectrometry -Examines technologies and applications of gas phase resonance-enhanced multiphoton ionization mass spectrometry (REMPI-MS) and gas phase resonance ionization mass spectrometry (RIMS) -Provides complete coverage of popular techniques like MALDI -Discusses the current and potential applications of each technology, focusing on process and environmental analysis Photoionization and Photo-Induced Processes in Mass Spectrometry: Fundamentals and Applications is an excellent book for spectroscopists, analytical chemists, photochemists, physical chemists, and laser specialists.
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.
This book provides a broad and nuanced overview of the achievements and legacy of Professor William (“Bill”) Goddard in the field of computational materials and molecular science. Leading researchers from around the globe discuss Goddard’s work and its lasting impacts, which can be seen in today’s cutting-edge chemistry, materials science, and biology techniques. Each section of the book closes with an outline of the prospects for future developments. In the course of a career spanning more than 50 years, Goddard’s seminal work has led to dramatic advances in a diverse range of science and engineering fields. Presenting scientific essays and reflections by students, postdoctoral associates, collaborators and colleagues, the book describes the contributions of one of the world’s greatest materials and molecular scientists in the context of theory, experimentation, and applications, and examines his legacy in each area, from conceptualization (the first mile) to developments and extensions aimed at applications, and lastly to de novo design (the last mile). Goddard’s passion for science, his insights, and his ability to actively engage with his collaborators in bold initiatives is a model for us all. As he enters his second half-century of scientific research and education, this book inspires future generations of students and researchers to employ and extend these powerful techniques and insights to tackle today’s critical problems in biology, chemistry, and materials. Examples highlighted in the book include new materials for photocatalysts to convert water and CO2 into fuels, novel catalysts for the highly selective and active catalysis of alkanes to valuable organics, simulating the chemistry in film growth to develop two-dimensional functional films, and predicting ligand–protein binding and activation to enable the design of targeted drugs with minimal side effects.
VOLUME 25 Reviews in Computational Chemistry Kenny B. Lipkowitz and Thomas R. Cundari This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts, Atomistic Modeling Of Friction, The Computation Of Free Volume, Structural Order And Entropy Of Liquids And Glasses, The Reactivity Of Materials At Extreme Conditions, Magnetic Properties Of Transition Metal Clusters, Multiconfigurational Quantum Methods For The Treatment Of Heavy Metals, Recursive Solutions To Large Eigenvalue Problems, And The Development And Uses Of Artificial Intelligence In Chemistry. From Reviews of the Series "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
This book is the first of several volumes on solids in the Shock Wave Science and Technology Reference Library. This is a unique collection, and the library as a whole sets out to comprehensively and authoritatively cover and review at research level the subject matter with all its ramifications. All the chapters are self-contained and can be read independently of each other, though they are of course thematically interrelated.