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Niels Bohr's atomic theory of 1913 is one of the absolute highlights in the history of modern science. It was only with this work that physicists realized that quantum theory is an essential ingredient in atomic physics, and it was also only with this work that Rutherford's nuclear model dating from 1911 was transformed into a proper theory of atomic structure. In a longer perspective, Bohr's quantum atom of 1913 gave rise to the later Heisenberg-Schrödinger quantum mechanics and all its marvellous consequences. This book is a detailed account of the origin of the Bohr atom centred around his original scientific articles of 1913 which are here reproduced and provided with the necessary historical background. In addition to the so-called trilogy -- the three papers published in Philosophical Magazine -- also two other and less well-known yet important papers are included. The present work starts with a condensed biographical account of Bohr's life and scientific career, from his birth in Copenhagen in 1885 to his death in the same city 77 years later. It then proceeds with a chapter outlining earlier ideas of atomic structure and tracing Bohr's route from his doctoral dissertation in 1911 over his stays in Cambridge and Manchester to the submission in April 1913 of the first part of the trilogy. The reproduction of Bohr's five articles is followed by notes and comments directly related to the texts, with the aim of clarifying some of the textual passages and to explicate names and subjects that may not be clear or well known. The reception of Bohr's radically new theory by contemporary physicists and chemists is discussed in a final chapter, which deals with the immediate reactions to Bohr's theory 1913-1915 mostly among British, German and American scientists. Historians of science have long been occupied with Bohr's atomic theory, which was the subject of careful studies in connection with its centenary in 2013. The present work offers an extensive source-based account of the original theory aimed at a non-specialist audience with an interest in the history of physics and the origin of the quantum world. In 1922 Bohr was awarded the Nobel Prize for his theory. The coming centenary will undoubtedly cause an increased interest in how he arrived at his revolutionary picture of the constitution of atoms and molecules.

Atomic theory. --- Molecular theory. --- Atoms. --- Molecules. --- Quantum theory --- History. --- Bohr, Niels,

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This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields utilized for characterizing various materials (such as nuclear materials and nanomaterials) and applications. This book gives many help to students and researchers who are studying the forcefield potentials and introduces various applications of atomistic-scale simulations to professors who are researching molecular dynamics.

Force and energy. --- Molecular dynamics --- Molecules --- Simulation methods. --- Models --- Dynamics, Molecular --- Dynamics --- Conservation of energy --- Correlation of forces --- Energy --- Physics --- Materials science --- Molecular dynamics. --- Nanotechnology. --- Atomic structure . --- Molecular structure. --- Microclusters. --- Atomistic Models. --- Molecular Dynamics. --- Atomic and Molecular Structure and Properties. --- Atomic and Molecular Clusters. --- Data processing. --- Atomic clusters --- Clusters, Atomic --- Clusters, Molecular --- Microcluster physics --- Molecular clusters --- Atoms --- Microphysics --- Structure, Molecular --- Chemical structure --- Structural bioinformatics --- Structure, Atomic --- Atomic theory --- Molecular technology --- Nanoscale technology --- High technology --- Material science --- Physical sciences