Skip to main content
Study reveals flaw in long-accepted approximation used in water simulations

Computational scientists at ORNL have published a study that questions a long-accepted factor in simulating the molecular dynamics of water: the 2 femtosecond time step. According to the team’s findings, using anything greater than a 0.5 femtosecond time step can introduce errors in both the dynamics and thermodynamics when simulating water using a rigid-body description.

colors

Simulations performed on the Summit supercomputer at ORNL are cutting through that time and expense by helping researchers digitally customize the ideal alloy. 

ORNL researchers modeled how hurricane cloud cover would affect solar energy generation as a storm followed 10 possible trajectories over the Caribbean and Southern U.S. Credit: Andy Sproles/ ORNL,U.S. Dept. of Energy

ORNL researchers modeled how hurricane cloud cover would affect solar energy generation as a storm followed 10 possible trajectories over the Caribbean and Southern U.S.

Researchers relied on support from ORNL’s Quantum Computing User Program to simulate a key quantum state at one of the largest scales reported. The findings could mark a step toward improving quantum simulations.  Credit: Getty Images

Researchers simulated a key quantum state at one of the largest scales reported, with support from the Quantum Computing User Program, or QCUP, at ORNL. 

Campus

Rishi Pillai and his research team from ORNL will receive a Best Paper award from the American Society of Mechanical Engineers International Gas Turbine Institute in June at the Turbo Expo 2024 in London. 

ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

ORNL’s Erin Webb is co-leading a new Circular Bioeconomy Systems Convergent Research Initiative focused on advancing production and use of renewable carbon from Tennessee to meet societal needs. 

3D printed “Frankenstein design” collimator show the “scars” where the individual parts are joined

Scientists at ORNL have developed 3D-printed collimator techniques that can be used to custom design collimators that better filter out noise during different types of neutron scattering experiments

Images showing distortion caused by residual stress in the horizontal and vertical axes of material. ORNL researchers found that simply adding material in critical regions mitigates the accumulation of stress. Credit: ORNL, U.S. Dept. of Energy

ORNL scientists have determined how to avoid costly and potentially irreparable damage to large metallic parts fabricated through additive manufacturing, also known as 3D printing, that is caused by residual stress in the material. 

This CyberShake Study 22.12 seismic hazard model shows the Southern California regions (in reds and yellows) expected to experience strong ground motions at least once in the next 2,500 years. Image Credit: Statewide California Earthquake Center (SCEC).

Researchers at the Statewide California Earthquake Center are unraveling the mysteries of earthquakes by using physics-based computational models running on high-performance computing systems at ORNL. The team’s findings will provide a better understanding of seismic hazards in the Golden State. 

Wire arc additive manufacturing allowed this robot arm at ORNL to transform metal wire into a complete steam turbine blade like those used in power plants. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Researchers at ORNL became the first to 3D-print large rotating steam turbine blades for generating energy in power plants.