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) ...

We have monitored the hydrothermal crystallization of titania nanoparticles by in situ X-ray diffraction, and our refined average structures cannot account for the stabilization of nano-anatase ...

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 ...

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 ...

We describe a method for modeling constant-potential charges in heteroatomic electrodes, keeping pace with the increasing complexity of electrode composition and nanostructure in electrochemical ...

Stochastic electronic structure theories, e.g., Quantum Monte Carlo methods, enable highly accurate total energy calculations which in principle can be used to construct highly accurate potential ...

The thirteenth international conference on Thermal Performance of the Exterior Envelopes of Whole Buildings XIII, organized by the Oak Ridge National Laboratory (ORNL), will be held December 4-6, 2016 ...

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical ...

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 ...

The properties of LaMO3 (M: 3d transition metal) perovskite crystals are significantly dependent on point defects, whether introduced accidentally or intentionally. The most studied defects in ...

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical ...

Two-dimensional (2D) transition metal carbides and nitrides (MXenes) have shown outstanding performances in electrochemical energy storage and many other applications. However, the stability of MXene ...