Download or read book A Multi scale Approach to Molecular Dynamics Simulations of Shock Waves written by E. J. Reed and published by . This book was released on 2004 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt: Study of the propagation of shock waves in condensed matter has led to new discoveries ranging from new metastable states of carbon [1] to the metallic conductivity of hydrogen in Jupiter, [2] but progress in understanding the microscopic details of shocked materials has been extremely difficult. Complications can include the unexpected formation of metastable states of matter that determine the structure, instabilities, and time-evolution of the shock wave. [1,3] The formation of these metastable states can depend on the time-dependent thermodynamic pathway that the material follows behind the shock front. Furthermore, the states of matter observed in the shock wave can depend on the timescale on which observation is made. [4,1] Significant progress in understanding these microscopic details has been made through molecular dynamics simulations using the popular non-equilibrium molecular dynamics (NEMD) approach to atomistic simulation of shock compression. [5] The NEMD method involves creating a shock at one edge of a large system by assigning some atoms at the edge a fixed velocity. The shock propagates across the computational cell to the opposite side. The computational work required by NEMD scales at least quadratically in the evolution time because larger systems are needed for longer simulations to prevent the shock wave from reflecting from the edge of the computational cell and propagating back into the cell. When quantum mechanical methods with poor scaling of computational effort with system size are employed, this approach to shock simulations rapidly becomes impossible.
Download or read book Multi scale Shock Technique written by and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The code to be released is a new addition to the LAMMPS molecular dynamics code. LAMMPS is developed and maintained by Sandia, is publicly available, and is used widely by both natioanl laboratories and academics. The new addition to be released enables LAMMPS to perform molecular dynamics simulations of shock waves using the Multi-scale Shock Simulation Technique (MSST) which we have developed and has been previously published. This technique enables molecular dynamics simulations of shock waves in materials for orders of magnitude longer timescales than the direct, commonly employed approach.
Download or read book Multiscale Mechanics of Shock Wave Processes written by Yurii Meshcheryakov and published by Springer Nature. This book was released on 2021-09-30 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents theoretical and experimental investigations of mechanical behavior of solids under shock loading and highlights a multi-scale exchange process of energy and momentum between meso and macroscopic hierarchy. It also widely covers experimental approaches for the multi-scale response of solids to impacts including uniaxial strain conditions and high-velocity penetration processes. The content comprises two parts. The first part overviews modeling and theory of dynamically deformed solids from the multi-scale point of view. The second part describes experimental characterization of shock-induced solids and experimental probing of mesostructured and mesoscale dynamic processes in solids. The theory presented in the first part is then verified as it is compared with i) experiments of shock loading into different kinds of solids and ii) probed microstructure of post-shocked specimens by scanning electron microscopy, transmission electron microscopy and optical microscopy. The text is written on the basis of author’s lectures at universities and thus is concisely described for postgraduate students. It is also useful for researchers who work on the theory of multi-scale mechanics of solids and engineers who work on testing materials under dynamic loading.
Download or read book Multiscale Biomechanical Modeling of the Brain written by Mark F. Horstemeyer and published by Elsevier. This book was released on 2021-11-02 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale Biomechanical Modeling of the Brain discusses the constitutive modeling of the brain at various length scales (nanoscale, microscale, mesoscale, macroscale and structural scale). In each scale, the book describes the state-of-the- experimental and computational tools used to quantify critical deformational information at each length scale. Then, at the structural scale, several user-based constitutive material models are presented, along with real-world boundary value problems. Lastly, design and optimization concepts are presented for use in occupant-centric design frameworks. This book is useful for both academia and industry applications that cover basic science aspects or applied research in head and brain protection. The multiscale approach to this topic is unique, and not found in other books. It includes meticulously selected materials that aim to connect the mechanistic analysis of the brain tissue at size scales ranging from subcellular to organ levels. Presents concepts in a theoretical and thermodynamic framework for each length scale Teaches readers not only how to use an existing multiscale model for each brain but also how to develop a new multiscale model Takes an integrated experimental-computational approach and gives structured multiscale coverage of the problems
Download or read book Multiscale Modeling and Simulation of Shock Wave Induced Failure in Materials Science written by Martin Oliver Steinhauser and published by Springer. This book was released on 2018-02-24 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: Martin Oliver Steinhauser deals with several aspects of multiscale materials modeling and simulation in applied materials research and fundamental science. He covers various multiscale modeling approaches for high-performance ceramics, biological bilayer membranes, semi-flexible polymers, and human cancer cells. He demonstrates that the physics of shock waves, i.e., the investigation of material behavior at high strain rates and of material failure, has grown to become an important interdisciplinary field of research on its own. At the same time, progress in computer hardware and software development has boosted new ideas in multiscale modeling and simulation. Hence, bridging the length and time scales in a theoretical-numerical description of materials has become a prime challenge in science and technology.
Download or read book Dynamic Behavior of Materials written by Marc A. Meyers and published by John Wiley & Sons. This book was released on 1994-10-28 with total page 694 pages. Available in PDF, EPUB and Kindle. Book excerpt: Addresses fundamentals and advanced topics relevant to the behavior of materials under in-service conditions such as impact, shock, stress and high-strain rate deformations. Deals extensively with materials from a microstructure perspective which is the future direction of research today.
Download or read book A Method for Tractable Dynamical Studies of Single and Double Shock Compression written by E. J. Reed and published by . This book was released on 2003 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: A new multi-scale simulation method is formulated for the study of shocked materials. The method combines molecular dynamics and the Euler equations for compressible flow. Treatment of the difficult problem of the spontaneous formation of multiple shock waves due to material instabilities is enabled with this approach. The method allows the molecular dynamics simulation of the system under dynamical shock conditions for orders of magnitude longer time periods than is possible using the popular non-equilibrium molecular dynamics (NEMD) approach. An example calculation is given for a model potential for silicon in which a computational speedup of 10{sup 5} is demonstrated. Results of these simulations are consistent with the recent experimental observation of an anomalously large elastic precursor on the nanosecond timescale.
Download or read book Chemistry at Extreme Conditions written by M.R. Manaa and published by Elsevier. This book was released on 2005-03-02 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry at Extreme Conditions covers those chemical processes that occur in the pressure regime of 0.5–200 GPa and temperature range of 500–5000 K and includes such varied phenomena as comet collisions, synthesis of super-hard materials, detonation and combustion of energetic materials, and organic conversions in the interior of planets. The book provides an insight into this active and exciting field of research. Written by top researchers in the field, the book covers state of the art experimental advances in high-pressure technology, from shock physics to laser-heating techniques to study the nature of the chemical bond in transient processes. The chapters have been conventionally organised into four broad themes of applications: biological and bioinorganic systems; Experimental works on the transformations in small molecular systems; Theoretical methods and computational modeling of shock-compressed materials; and experimental and computational approaches in energetic materials research.* Extremely practical book containing up-to-date research in high-pressure science * Includes chapters on recent advances in computer modelling* Review articles can be used as reference guide
Download or read book Computational Multiscale Modeling of Fluids and Solids written by Martin Oliver Steinhauser and published by Springer Nature. This book was released on 2022-07-28 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: The expanded 3rd edition of this established textbook offers an updated overview and review of the computational physics techniques used in materials modelling over different length and time scales. It describes in detail the theory and application of some of the most important methods used to simulate materials across the various levels of spatial and temporal resolution. Quantum mechanical methods such as the Hartree-Fock approximation for solving the Schrödinger equation at the smallest spatial resolution are discussed as well as the Molecular Dynamics and Monte-Carlo methods on the micro- and meso-scale up to macroscopic methods used predominantly in the Engineering world such as Finite Elements (FE) or Smoothed Particle Hydrodynamics (SPH). Extensively updated throughout, this new edition includes additional sections on polymer theory, statistical physics and continuum theory, the latter being the basis of FE methods and SPH. Each chapter now first provides an overview of the key topics covered, with a new “key points” section at the end. The book is aimed at beginning or advanced graduate students who want to enter the field of computational science on multi-scales. It provides an in-depth overview of the basic physical, mathematical and numerical principles for modelling solids and fluids on the micro-, meso-, and macro-scale. With a set of exercises, selected solutions and several case studies, it is a suitable book for students in physics, engineering, and materials science, and a practical reference resource for those already using materials modelling and computational methods in their research.
Download or read book Energetic Materials written by John R. Sabin and published by Academic Press. This book was released on 2014-02-10 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. - This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field
Download or read book Shock Waves Science and Technology Library Vol 6 written by F. Zhang and published by Springer Science & Business Media. This book was released on 2012-03-28 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, as a volume of the Shock Wave Science and Technology Reference Library, is primarily concerned with the fundamental theory of detonation physics in gaseous and condensed phase reactive media. The detonation process involves complex chemical reaction and fluid dynamics, accompanied by intricate effects of heat, light, electricity and magnetism - a contemporary research field that has found wide applications in propulsion and power, hazard prevention as well as military engineering. The seven extensive chapters contained in this volume are: - Chemical Equilibrium Detonation (S Bastea and LE Fried) - Steady One-Dimensional Detonations (A Higgins) - Detonation Instability (HD Ng and F Zhang) - Dynamic Parameters of Detonation (AA Vasiliev) - Multi-Scaled Cellular Detonation (D Desbordes and HN Presles) - Condensed Matter Detonation: Theory and Practice (C Tarver) - Theory of Detonation Shock Dynamics (JB Bdzil and DS Stewart) The chapters are thematically interrelated in a systematic descriptive approach, though, each chapter is self-contained and can be read independently from the others. It offers a timely reference of theoretical detonation physics for graduate students as well as professional scientists and engineers.
Download or read book Turbulent Combustion written by Norbert Peters and published by Cambridge University Press. This book was released on 2000-08-15 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combustion of fossil fuels remains a key technology for the foreseeable future. It is therefore important that we understand the mechanisms of combustion and, in particular, the role of turbulence within this process. Combustion always takes place within a turbulent flow field for two reasons: turbulence increases the mixing process and enhances combustion, but at the same time combustion releases heat which generates flow instability through buoyancy, thus enhancing the transition to turbulence. The four chapters of this book present a thorough introduction to the field of turbulent combustion. After an overview of modeling approaches, the three remaining chapters consider the three distinct cases of premixed, non-premixed, and partially premixed combustion, respectively. This book will be of value to researchers and students of engineering and applied mathematics by demonstrating the current theories of turbulent combustion within a unified presentation of the field.
Download or read book Shock Phenomena in Granular and Porous Materials written by Tracy J. Vogler and published by Springer Nature. This book was released on 2019-09-04 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Granular forms of common materials such as metals and ceramics, sands and soils, porous energetic materials (explosives, reactive mixtures), and foams exhibit interesting behaviors due to their heterogeneity and critical length scale, typically commensurate with the grain or pore size. Under extreme conditions of impact, granular and porous materials display highly localized phenomena such as fracture, inelastic deformation, and the closure of voids, which in turn strongly influence the bulk response. Due to the complex nature of these interactions and the short time scales involved, computational methods have proven to be powerful tools to investigate these phenomena. Thus, the coupled use of experiment, theory, and simulation is critical to advancing our understanding of shock processes in initially porous and granular materials. This is a comprehensive volume on granular and porous materials for researchers working in the area of shock and impact physics. The book is divided into three sections, where the first presents the fundamentals of shock physics as it pertains to the equation of state, compaction, and strength properties of porous materials. Building on these fundamentals, the next section examines several applications where dynamic processes involving initially porous materials are prevalent, focusing on the areas of penetration, planetary impact, and reactive munitions. The final section provides a look at emerging areas in the field, where the expansion of experimental and computational capabilities are opening the door for new opportunities in the areas of advanced light sources, molecular dynamics modeling, and additively manufactured porous structures. By intermixing experiment, theory, and simulation throughout, this book serves as an excellent, up-to-date desk reference for those in the field of shock compression science of porous and granular materials.
Download or read book Multiscale Simulations and Mechanics of Biological Materials written by Shaofan Li and published by John Wiley & Sons. This book was released on 2013-03-19 with total page 509 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale Simulations and Mechanics of Biological Materials A compilation of recent developments in multiscale simulation and computational biomaterials written by leading specialists in the field Presenting the latest developments in multiscale mechanics and multiscale simulations, and offering a unique viewpoint on multiscale modelling of biological materials, this book outlines the latest developments in computational biological materials from atomistic and molecular scale simulation on DNA, proteins, and nano-particles, to meoscale soft matter modelling of cells, and to macroscale soft tissue and blood vessel, and bone simulations. Traditionally, computational biomaterials researchers come from biological chemistry and biomedical engineering, so this is probably the first edited book to present work from these talented computational mechanics researchers. The book has been written to honor Professor Wing Liu of Northwestern University, USA, who has made pioneering contributions in multiscale simulation and computational biomaterial in specific simulation of drag delivery at atomistic and molecular scale and computational cardiovascular fluid mechanics via immersed finite element method. Key features: Offers a unique interdisciplinary approach to multiscale biomaterial modelling aimed at both accessible introductory and advanced levels Presents a breadth of computational approaches for modelling biological materials across multiple length scales (molecular to whole-tissue scale), including solid and fluid based approaches A companion website for supplementary materials plus links to contributors’ websites (www.wiley.com/go/li/multiscale)
Download or read book Computational Approaches for Chemistry Under Extreme Conditions written by Nir Goldman and published by Springer. This book was released on 2019-02-18 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book High Energy Density Materials written by Thomas M. Klapötke and published by Springer. This book was released on 2007-06-12 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Multi scale Calculation Based on Dual Domain Material Point Method Combined with Molecular Dynamics written by and published by . This book was released on 2017 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation combines the dual domain material point method (DDMP) with molecular dynamics (MD) in an attempt to create a multi-scale numerical method to simulate materials undergoing large deformations with high strain rates. In these types of problems, the material is often in a thermodynamically non-equilibrium state, and conventional constitutive relations are often not available. In this method, the closure quantities, such as stress, at each material point are calculated from a MD simulation of a group of atoms surrounding the material point. Rather than restricting the multi-scale simulation in a small spatial region, such as phase interfaces, or crack tips, this multi-scale method can be used to consider non-equilibrium thermodynamic e ects in a macroscopic domain. This method takes advantage that the material points only communicate with mesh nodes, not among themselves; therefore MD simulations for material points can be performed independently in parallel. First, using a one-dimensional shock problem as an example, the numerical properties of the original material point method (MPM), the generalized interpolation material point (GIMP) method, the convected particle domain interpolation (CPDI) method, and the DDMP method are investigated. Among these methods, only the DDMP method converges as the number of particles increases, but the large number of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared of particles needed for convergence makes the method very expensive especially in our multi-scale method where we calculate stress in each material point using MD simulation. To improve DDMP, the sub-point method is introduced in this dissertation, which provides high quality numerical solutions with a very small number of particles. The multi-scale method based on DDMP with sub-points is successfully implemented for a one dimensional problem of shock wave propagation in a cerium crystal. The MD simulation to calculate stress in each material point is performed in GPU using CUDA to accelerate the computation. The numerical properties of the multiscale method are investigated as well as the results from this multi-scale calculation are compared with direct MD simulation results to demonstrate the feasibility of the method. Also, the multi-scale method is applied for a two dimensional problem of jet formation around copper notch under a strong impact.
