Computational materials discovery (5 Ergebnisse)
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Zustand: New. A unique and timely book providing an overview of both the methodologies and applications of computational materials design.InhaltsverzeichnisrnrnComputational Materials Discovery: Dream or Reality? Computational Materials Discovery Using E.
Verlag: U. S, Department of Energy, Office of Science, Washington DC, 2010
- Softcover
- Erstausgabe
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In den WarenkorbWraps. Zustand: Very good. Presumed First Edition, First printing. 28 pages, plus covers. Illustrations (most with color). Minor edge curling. An early focus on Simulation-Based Engineering and Science (SBE&S). The report includes an Executive Summary and sections on Materials science and chemistry: Pathway to innovation; and Ac…celerating discovery and innovation in materials science and chemistry; and Foundational challenges in predictive materials science and chemistry; and Materials and chemistry by design: Creating an innovation ecosystem, and Benefits of predictive capability in science and engineering, and appendices of the agenda and a list of participants. The workshop concluded that the promise of an innovative 'ecosystem' required: Integration of synthesis, processing, characterization, theory, and simulation and modeling; Achieving/strengthening predictive capability in foundational challenge; Developing validated computational approaches that span vast differences in time and length scales; Experimental validation and quantification of uncertainty in simulation and modeling; Robust and sustainable computational infrastructure, including software and applications; and Efficient transfer and incorporation of simulation-based engineering and science in industry. Laid in the agenda and participants of a subsequent Simulations Summit, held October 13, 2010 in Washington, DC. There were over 70 attendees, including such luminaries as: Michael Anastasio, Steven Chu, Nicholas Donofrio, Paul Hommert, Steve Koonin, Dimitri Kusnezov, Thom Mason, George Miller,Ernest Moniz, and Victor Reis. This was a highly influential exploration of SBE&S. Simulation Based Engineering and Science (SBE&S) involves the use of computer modeling and simulation to solve mathematical formulations of physical models of engineered and natural systems. SBE&S today has reached a level of predictive capability that it now firmly complements the traditional pillars of theory and experimentation/observation. As a result, computer simulation is more pervasive today - and having more impact - than at any other time in human history. Many critical technologies, including those to develop new energy sources and to shift the cost-benefit factors in healthcare, are on the horizon that cannot be understood, developed, or utilized without simulation.
