Methane hydrates, a promising natural gas resource, are believed to reside throughout the globe in sea-floor sediments and permafrost. Lorie Langley, who is leading ORNL’s Gas Hydrate program for the ...

Inaugurated in 1979, the "Buildings Conference" takes place every three years allowing time to develop new research and technology applications and to document the findings. Attendance is ...

The structures were relaxed by performing highly converged density functional calculations. The geometries were obtained from all-electron calculations [157] using the B3LYP hybrid functional [154] ...

Research is focused on predicting and explaining the properties of materials using computer simulation. Over the last two decades, advances in simulation techniques coupled with increasing computer ...

In the MSRE’s heyday: ORNL Director Alvin Weinberg (far left) and Atomic Energy Commission Chairman Glenn Seaborg (pointing) were on hand in 1968, when the Molten Salt Reactor began operating with ...

so that values are accumulated at each step along the VMC walk. The integral over is performed by summing over a grid of uniform spacing whose origin is chosen randomly for each electron configuration ...

Please see my Google Scholar page for the most recent references. Below are references with abstracts and PDF files available for download. Kai Wang, B. Huang, M ...

Atomic models are the basic building blocks of a DEVS model. The behavior of an atomic model is described by its state transition functions (internal, external, and confluent), its output function, ...

High-entropy alloys constitute a new class of materials whose very existence poses fundamental questions regarding the physical principles underlying their unusual phase stability. Originally thought ...

The right hand side of the equations consists of four terms. The first and second give rise are the kinetic energy contribution and the electron-ion potential. The third term, or Hartree term, is the ...

Scientists at DOE's Sandia National Laboratories are evaluating data from some 50 sets of instruments used in February in the largest-ever liquefied natural gas (LNG) fire test on water. The test was ...

Jong Youl Choi is a researcher working in Scientific Data Group, Computer Science and Mathematics Division, Oak Ridge National Laboratory (ORNL), Oak Ridge, Tennessee, USA. He earned his Ph.D. degree ...