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Computations for the Nano-Scale
Proceedings of the NATO Advanced Research Workshop, Aspet, France, October 12-16, 1992
Fundamentals of III-V Semiconductor MOSFETs
Fundamentals of III-V Semiconductor MOSFETs presents the fundamentals and current status of research of compound semiconductor metal-oxide-semiconductor field-effect transistors (MOSFETs) that are envisioned as a future replacement of silicon in digital circuits. The material covered begins with a review of specific properties of III-V semiconductors and available technologies making them attractive to MOSFET technology, such as band-engineered heterostructures, effect of strain, nanoscale control during epitaxial growth. Due to the lack of thermodynamically stable native oxides on III-V's (such as SiO2 on Si), high-k oxides are the natural choice of dielectrics for III-V MOSFETs. The key ch...
Atomic and Molecular Wires
This volume contains the proceedings of the NATO Advanced Research Workshop on "Atomic and Molecular Wires". It was sponsored by the Ministry of Scientific Affairs Division special program on Nanoscale Science with the support of the CNRS and the Max Planck Institute. Scientists working or interested in the properties of wires at a subnanoscale were brought together in Les Houches (France) from 6 to 10 May 1996. Subnanoscale wires can be fabricated either by surface physicists (atomic wires) or by synthetic chemists (molecular wires). Both communities present their foremost advances using, for example, STM to assemble atomic lines atom for atom, to fabricate a mask for such a line or using t...
Modern Methods for Multidimensional Dynamics Computations in Chemistry
This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other ?novices? who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.
High-Entropy Materials: Theory, Experiments, and Applications
This book discusses fundamental studies involving the history, modelling, simulation, experimental work, and applications on high-entropy materials. Topics include data-driven and machine-learning approaches, additive-manufacturing techniques, computational and analytical methods, such as density functional theory and multifractal analysis, mechanical behavior, high-throughput methods, and irradiation effects. The types of high-entropy materials consist of alloys, oxides, and ceramics. The book then concludes with a discussion on potential future applications of these novel materials.
Reviews in Computational Chemistry
THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. * A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. * ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Multiphysics Modelling and Simulation for Systems Design and Monitoring
This book reports on the state of the art in the field of multiphysics systems. It consists of accurately reviewed contributions to the MMSSD’2014 conference, which was held from December 17 to 19, 2004 in Hammamet, Tunisia. The different chapters, covering new theories, methods and a number of case studies, provide readers with an up-to-date picture of multiphysics modeling and simulation. They highlight the role played by high-performance computing and newly available software in promoting the study of multiphysics coupling effects, and show how these technologies can be practically implemented to bring about significant improvements in the field of design, control and monitoring of machines. In addition to providing a detailed description of the methods and their applications, the book also identifies new research issues, challenges and opportunities, thus providing researchers and practitioners with both technical information to support their daily work and a new source of inspiration for their future research.
Silicon
With topics ranging from epitaxy through lattice defects and doping to quantum computation, this book provides a personalized survey of the development and use of silicon, the basis for the revolutionary changes in our lives sometimes called "The Silicon Age." Beginning with the very first developments more than 50 years ago, it reports on all aspects of silicon and silicon technology up to its use in exciting new technologies, including a glance at possible future developments. A team of expert authors, many of them pioneers in the field, have written informative and stimulating contributions that will be of interest to all scientists working with silicon.
Understanding of NiO-based Unipolar Resistive Switching from First Principle Simulations to Macroscopic Models
As NAND Flash memory technology is facing challenging issues such as electronic coupling between adjacent cells and high coupling of the control gate with floating gate in scaling down to and beyond 16nm technology node, new functional devices or materials has been explored to continue consecutive development of memory technology beyond 16nm technology node. One of the new emerging non-volatile memories is resistance change random access memory(ReRAM) possibly meeting the requirements to replace NAND Flash; i.e., low cost, simple structure, promising 8nm technology node, low power dissipation, high endurance, possible integration in crossbar arrays in 3D on top of silicon base CMOS ICs. In R...
