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.

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.

As computing power increases, a growing number of macroscopic phenomena are modeled at the molecular level. Consequently, new requirements are generated for the understanding of molecular dynamics in exotic conditions. This book illustrates the importance of detailed chemical dynamics and the role it plays in the phenomenology of a number of extreme environments. Each chapter addresses one or more extreme environments, outlines the associated chemical mechanisms of relevance, and then covers the leading edge science that elucidates the chemical coupling. The chapters exhibit a balance between theory and experiment, gas phase, solid state, and surface dynamics, and geophysical and technical environments. Sample Chapter(s). Chapter 1.1: Introduction (203 KB). Chapter 1.2: Chemistry at High Temperatures and Pressures (99 KB). Chapter 1.3: High Temperature Chemistry in the Atmosphere (82 KB). Chapter 1.4: Low Temperature Chemistry (90 KB). Chapter 1.5: Conclusions (131 KB). Contents: Exploring Chemistry in Extreme Environments: A Driving Force for Innovation (M R Berman); Chemistry Under Extreme Conditions: Cluster Impact Activation (T Raz & R D Levine); Nonequilibrium Chemistry Modeling in Rarefied Hypersonic Flows (I D Boyd); Chemical Dynamics in Chemical Laser Media (M C Heaven); From Elementary Reactions to Complex Combustion Systems (C Schulz et al.); The Gas-Phase Chemical Dynamics Associated with Meteors (R A Dressler & E Murad); Dynamics of Hypervelocity Gas/Surface Collisions (D C Jacobs); Surface Chemistry in the Jovian Magnetosphere Radiation Environment (R E Johnson); Dynamics of Atomic Oxygen Induced Polymer Degradation in Low Earth Orbit (T K Minton & D J Garton); Atomic-Level Properties of Thermal Barrier Coatings: Characterization of MetalOCoCeramic Interface (A Christensen et al.); Molecular Dynamics Simulations of Detonations (C T White et al.). Readership: Scientists engaged in cross-disciplinary work and chemists studying multidisciplinary problems."

Recently, there have been significant advances in the fields of high-enthalpy hypersonic flows, high-temperature gas physics, and chemistry shock propagation in various media, industrial and medical applications of shock waves, and shock-tube technology. This series contains all the papers and lectures of the 19th International Symposium on Shock Waves held in Marseille in 1993. They are published in four topical volumes, each containing papers on related topics, and preceded by an overview wrtitten by a leading international expert. The volumes may be purchased independently.

Molecular line emissions offer researchers exciting opportunities to learn about the evolutionary state of the Milky Way and distant galaxies. This text provides a detailed introduction to molecular astrophysics and an array of useful techniques for observing astronomical phenomena at millimetre and submillimetre wavelengths. After discussing the theoretical underpinnings of molecular observation, the authors catalogue suitable molecular tracers for many types of astronomical regions in local and distant parts of the Universe, including cold gas reservoirs primed for the formation of new stars, regions of active star formation, giant photon-dominated regions and near active galactic nuclei. Further chapters demonstrate how to obtain useful astronomical information from raw telescope data while providing recommendations for appropriate observing strategies. Replete with maps, charts and references for further reading, this handbook will suit research astronomers and graduate students interested in broadening their skill to take advantage of the new facilities now coming online.

Shock-induced dynamic fracture of solids is of practical importance in many areas of materials science, chemical physics, engineering, and geophysics. This book, by an international roster of authors, comprises a systematic account of the current state of research in the field, integrating the large amount of work done in the former Soviet Union with the work done in the West. Topics covered include: Wave propagation, experimental techniques and measurements, spallation of materials of different classes (metals, ceramics, glasses, polymers), constitutive models of fracture processes, and computer simulations.

Carbon in Earth's fluid envelopes - the atmosphere, biosphere, and hydrosphere, plays a fundamental role in our planet's climate system and a central role in biology, the environment, and the economy of earth system. The source and original quantity of carbon in our planet is uncertain, as are the identities and relative importance of early chemical processes associated with planetary differentiation. Numerous lines of evidence point to the early and continuing exchange of substantial carbon between Earth's surface and its interior, including diamonds, carbon-rich mantle-derived magmas, carbonate rocks in subduction zones and springs carrying deeply sourced carbon-bearing gases. Thus, there is little doubt that a substantial amount of carbon resides in our planet's interior. Yet, while we know it must be present, carbon's forms, transformations and movements at conditions relevant to the interiors of Earth and other planets remain uncertain and untapped. Volume highlights include: - Reviews key, general topics, such as carbonate minerals, the deep carbon cycle, and carbon in magmas or fluids - Describes new results at the frontiers of the field with presenting results on carbon in minerals, melts, and fluids at extreme conditions of planetary interiors - Brings together emerging insights into carbon's forms, transformations and movements through study of the dynamics, structure, stability and reactivity of carbon-based natural materials - Reviews emerging new insights into the properties of allied substances that carry carbon, into the rates of chemical and physical transformations, and into the complex interactions between moving fluids, magmas, and rocks to the interiors of Earth and other planets - Spans the various chemical redox states of carbon, from reduced hydrocarbons to zero-valent diamond and graphite to oxidized CO2 and carbonates - Captures and synthesizes the exciting results of recent, focused efforts in an emerging scientific discipline - Reports advances over the last decade that have led to a major leap forward in our understanding of carbon science - Compiles the range of methods that can be tapped tap from the deep carbon community, which includes experimentalists, first principles theorists, thermodynamic modelers and geodynamicists - Represents a reference point for future deep carbon science research Carbon in Planetary Interiors will be a valuable resource for researchers and students who study the Earth's interior. The topics of this volume are interdisciplinary, and therefore will be useful to professionals from a wide variety of fields in the Earth Sciences, such as mineral physics, petrology, geochemistry, experimentalists, first principles theorists, thermodynamics, material science, chemistry, geophysics and geodynamics.