Bridging the Gap between Quantum Mechanics and Large-Scale Atomistic Simulation (open access)

Bridging the Gap between Quantum Mechanics and Large-Scale Atomistic Simulation

The prospect of modeling across disparate length and time scales to achieve a predictive multiscale description of real materials properties has attracted widespread research interest in the last decade. To be sure, the challenges in such multiscale modeling are many, and in demanding cases, such as mechanical properties or dynamic phase transitions, multiple bridges extending from the atomic level all the way to the continuum level must be built. Although often overlooked in this process, one of the most fundamental and important problems in multiscale modeling is that of bridging the gap between first-principles quantum mechanics, from which true predictive power for real materials emanates, and the large-scale atomistic simulation of thousands or millions of atoms, which is usually essential to describe the complex atomic processes that link to higher length and time scales. For example, to model single-crystal plasticity at micron length scales via dislocation-dynamics simulations that evolve the detailed dislocation microstructure requires accurate large-scale atomistic information on the mobility and interaction of individual dislocations. Similarly, modeling the kinetics of structural phase transitions requires linking accurate large-scale atomistic information on nucleation processes with higher length and time scale growth processes.
Date: August 16, 2004
Creator: Moriarty, J. A.
System: The UNT Digital Library
14th Workshop on Crystalline Silicon Solar Cells & Modules: Materials and Processes; Extended Abstracts and Papers (open access)

14th Workshop on Crystalline Silicon Solar Cells & Modules: Materials and Processes; Extended Abstracts and Papers

The 14th Workshop will provide a forum for an informal exchange of technical and scientific information between international researchers in the photovoltaic and relevant non-photovoltaic fields. It will offer an excellent opportunity for researchers in private industry and at universities to prioritize mutual needs for future collaborative research. The workshop is intended to address the fundamental properties of PV silicon, new solar cell designs, advanced solar cell processing techniques, and cell-related module issues. A combination of oral presentations by invited speakers, poster sessions, and discussion sessions will review recent advances in crystal growth, new cell designs, new processes and process characterization techniques, cell fabrication approaches suitable for future manufacturing demands, and solar cell encapsulation. This year's theme, ''Crystalline Si Solar Cells: Leapfrogging the Barriers,'' reflects the continued success of crystalline Si PV in overcoming technological barriers to improve solar cell performance and lower the cost of Si PV. The workshop will consist of presentations by invited speakers, followed by discussion sessions. In addition, there will be two poster sessions presenting the latest research and development results. Some presentations will address recent technologies in the microelectronics field that may have a direct bearing on PV. The sessions will include: Advances in …
Date: August 1, 2004
Creator: Sopori, B. L.
System: The UNT Digital Library
Quantum Mechanical Theories of Consciousness (open access)

Quantum Mechanical Theories of Consciousness

The principal quantum mechanical theories of the mind/brain connection are described.
Date: August 16, 2004
Creator: Stapp, Henry P.
System: The UNT Digital Library