Expansion And Fragmentation

The First World War led to a radical reshaping of Europe's political borders. Nowhere was this transformation more profound than in East Central Europe, where the collapse of imperial rule led to the emergence of a series of new states. New borders intersected centuries-old networks of commercial, cultural, and social exchange. The new states had to face the challenges posed by territorial fragmentation and at the same time establish durable state structures within an international order that viewed them as, at best, weak, and at worst, as merely provisional entities that would sooner or later be reintegrated into their larger neighbours' territory. Fragmentation in East Central Europe challenges the traditional view that the emergence of these states was the product of a radical rupture that naturally led from defunct empires to nation states. Using the example of Poland and the Baltic States, it retraces the roots of the interwar states of East Central Europe, of their policies, economic developments, and of their conflicts back to the First World War. At the same time, it shows that these states learned to harness the dynamics caused by territorial fragmentation, thus forever changing our understanding of what modern states can do.

For a brief period during the latter part of World War II, Nevill F. Mott led a theoretical group at Fort Halstead in the United Kingdom that tackled scientific issues related to pressing war-time concerns. Among later awards and honors, Mott was knighted and a recipient of the Nobel Prize. While at Fort Halstead, he undertook an effort to theoretically describe the statistical fragmentation of munitions subjected to intense explosive loading. Mott`s original internal reports contain seminal theoretical concepts on the physics and statistics of dynamic fracture and fragmentation, which have provided the inspiration for numerous later modeling efforts and engineering formulae. Some of his most forward-looking thoughts on the micromechanical and molecular aspects of fracture are included in these publications. The present book surveys the theoretical analysis put forth by Mott with particular focus on his efforts to characterize the size and distribution of fragments resulting from a dynamic fragmentation event. Copies of the original internal reports of Mott and his co-workers are included. The book also pursues additional theoretical analysis with the intent of delving further into the physical ideas and unfinished analysis implicit in Mott`s original studies. This book will be of interest to all scientists and engineers concerned with the dynamic fracture and fragmentation of solid bodies subject to intense transient loads imparted by explosive detonation and high-velocity impact from both the historical and modern perspective.

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.

This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both reliability and applicability have been enhanced, in particular, for non-bio problems. The current trend of the parallel computing facility is of the many-core type, and adaptation to modern computer environments has been explored as well. In this book, a historical review of FMO and comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US, ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twelve chapters). A variety of new applications with methodological breakthroughs are introduced in Part IV (six chapters). Finally, computer and information science-oriented topics including massively parallel computation and machine learning are addressed in Part V (six chapters). Many color figures and illustrations are included. Readers can refer to this book in its entirety as a practical textbook of the FMO method or read only the chapters of greatest interest to them.

From its origins as a niche technique more than 15 years ago, fragment-based approaches have become a major tool for drug and ligand discovery, often yielding results where other methods have failed. Written by the pioneers in the field, this book provides a comprehensive overview of current methods and applications of fragment-based discovery, as well as an outlook on where the field is headed. The first part discusses basic considerations of when to use fragment-based methods, how to select targets, and how to build libraries in the chemical fragment space. The second part describes established, novel and emerging methods for fragment screening, including empirical as well as computational approaches. Special cases of fragment-based screening, e. g. for complex target systems and for covalent inhibitors are also discussed. The third part presents several case studies from recent and on-going drug discovery projects for a variety of target classes, from kinases and phosphatases to targeting protein-protein interaction and epigenetic targets.

This is the first comprehensive treatment of the interactions of atoms and molecules with charged particles, photons and laser fields. Addressing the subject from a unified viewpoint, the volume reflects our present understanding of many-particle dynamics in rearrangement and fragmentation reactions.

These proceedings of EXPLOMET 90, the International Conference on the Materials Effects of Shock-Wave and High-Strain-Rate Phenomena, held August 1990, in La Jolla, California, represent a global and up-to-date appraisal of this field. Contributions (more than 100) deal with high-strain-rate deforma