News

web.ornl.gov8d
A Regional-Scale GIS-Based Modeling System for Evaluating the Potential Costs and Supplies of Biomass from Biomass Crops
From Proceedings, BIOENERGY '96--The Seventh National Bioenergy Conference. Meeting held September 15-20, 1996, Nashville, Tennessee, published by the Southeastern Regional Biomass Energy Program. A ...
web.ornl.gov8d
Oxygen vacancy formation energies in PbTiO3/SrTiO3 superlattice
The defect stability in a prototypical perovskite oxide superlattice consisting of SrTiO3 and PbTiO3 (STO/PTO) is determined by using first principles density functional theory calculations.
web.ornl.gov1y
Oak Ridge National Laboratory
Richard J. Norby Environmental Sciences Division Oak Ridge National Laboratory One Bethel Valley Road Bldg. 4500-N, MS-6301 Oak Ridge TN 37831-6301 Phone: (865) 576-5261 rjn@ornl.gov Complete CV ...
web.ornl.gov9y
Oak Ridge National Laboratory
Henriette (Yetta) Jager Senior Scientist Environmental Sciences Division Oak Ridge National Laboratory P.O. Box 2008 Oak Ridge TN 37831-6038, USA Phone: (865) 924-0596 (no voice mail messages please) ...
web.ornl.gov11y
of Whole Buildings XIII International Conference
Session 1, Practices A, Building Retrofit/Whole Building II Paper 89 Internal Insulation of Masonry Walls with Wooden Floor Beams in Northern Humid Climate Martin Morelli, Toke R. Nielsen, Gregor A.
web.ornl.gov20y
GEANT 4 - a simulation toolkit
GEANT4 is a toolkit for simulating the passage of particles through matter. It includes a complete range of functionality including tracking, geometry, physics models and hits. The physics processes ...
web.ornl.gov10y
Richard J. Norby
Medlyn BE, Zaehle S, De Kauwe MG, Walker AP, Dietze MC, Hanson PJ, Hickler T, Jain AK, Luo Y, Parton W, Prentice IC, Thornton PE, Wang S, Wang YP, Weng E, Iversen CM ...
web.ornl.gov14y
of Whole Buildings XIII International Conference
Buildings I proceedings Buildings II proceedings Buildings III proceedings Buildings IV proceedings Buildings V proceedings Buildings VI proceedings Buildings VII ...
web.ornl.gov11y
Hybrid density functional study of structural and electronic properties of functionalized Ti(n+1)X(n) (X=C,N) monolayers
Density functional theory simulations with conventional (PBE) and hybrid (HSE06) functionals were performed to investigate the structural and electronic properties of MXene monolayers, Tin+1Cn and ...
web.ornl.gov16y
Self-healing diffusion quantum Monte Carlo algorithms: direct reduction of the fermion sign error in electronic structure calculations
We develop a formalism and present an algorithm for optimization of the trial wave-function used in fixed-node diffusion quantum Monte Carlo (DMC) methods. The formalism is based on the DMC mixed ...
web.ornl.gov10y
Theoretical predictions of freestanding honeycomb sheets of cadmium chalcogenides
Two-dimensional (2D) nanocrystals of CdX (X = S, Se, Te) typically grown by colloidal synthesis are coated with organic ligands. Recent experimental work on ZnSe showed that the organic ligands can be ...