Center for Accelerating Materials Modeling

• CAMM Researchers Unravel the Role of Anharmonic Phonons in the Metal-Insulator Transition in VO₂
• "Live CAMM" simulations of anharmonic phonons in SrTiO₃ measured on HYSPEC
• Coarse grained simulations of polymer electrolyte Polyethylene Oxide-Acrylic Acid
• Phonon anharmonicity and ferroelectric instability in SnTe and PbTe

Modeling and Simulation of Neutron Data

Neutron scattering enables simultaneous measurement of structural and dynamic properties of materials from the atomic scale (0.1 nm, 0.1ps) to the meso scale (1µm, 1µs). These ranges are remarkably complementary to current capabilities of computational modeling, and the simplicity of the scattering cross section allows for the straightforward prediction of neutron scattering data from atomic trajectories in a computer model.

The Center for Accelerating Materials Modeling is escalating the rate of scientific discovery by integrating modeling into all aspects of the experimental chain, enabling refinement of model parameters such as force fields and allowing researchers to compare model and experimental results in near real time.

How Can We Help You?

To discuss simulation and modeling needs for SNS experimental data, contact: camm@ornl.gov.