DENA0003965

We propose the creation of a Single-Discipline Center (SDC) for the exascale simulation of materials in hypersonic flow environments. Our objectives are as follows. First, we target a significant advance in the ability to predict the degradation (oxidation and melting) of complex (disordered and multi-component) materials under extreme loading, inaccessible to direct experimental observation.

This application represents a technology domain of intense current interest, and has clear extensions to a much wider class of problems—i.e., those involving material interfaces in extreme environments. Indeed, interfaces are crucial to our ability to understand, engineer, and control material behavior. Yet the predictive simulation of interface properties and their impact remains extremely challenging.

Capturing the impact of interfaces requires resolving interfacial atomic structure and thus appealing to first principles (i.e., quantum mechanical) simulations; at the same time, interfacial structures are affected by conditions (e.g., thermal, mechanical, and chemical loading) at the engineering scale. This problem thus presents an enormous and fundamental multiscale simulation challenge, with myriad applications—to hypersonics and far beyond.

Massachusetts Institute Of Technology

PSAAP III FUNDING OPPORTUNITY ANNOUNCEMENT (FOA) IS A CALL FOR APPLICATIONS TO CREATE A PROGRAM CONSISTING OF SOME COMBINATION OF THE FOLLOWING: 1) MULTI-DISCIPLINARY SIMULATION CENTER (MSC); 2) SINGLE DISCIPLINE CENTER (SSC); AND 3) FOCUSED INVESTIGATORY CENTER (FIC). THE VISION FOR PSAAP III CONSISTS OF PARTICIPATION BY LEADING US UNIVERSITIES FOCUSING ON THREE MAJOR INTEGRATED AREAS: (1) DISCIPLINE-FOCUSED RESEARCH NEEDED TO FURTHER PREDICTIVE SCIENCE AND ENABLED BY EFFECTIVE EXASCALE COMPUTING TECHNOLOGIES; (2) DEVELOPING AND DEMONSTRATING TECHNOLOGIES AND METHODOLOGIES TO SUPPORT EFFECTIVE EXASCALE COMPUTING IN THE CONTEXT OF SCIENCE/ENGINEERING APPLICATIONS; AND (3) PREDICTIVE SCIENCE BASED ON VERIFICATION AND VALIDATION AND UNCERTAINTY QUANTIFICATION (V&V/UQ) FOR LARGE-SCALE SIMULATIONS.

81.124 - Predictive Science Academic Alliance Program

National Nuclear Security Administration (NNSA) [DOE]

NNSA Weapons Activities [DOE - NNSA]

Cambridgeport, Massachusetts United States

City-Wide

Predictive Science Academic Alliance Program III (PSAAP III) (DE-FOA-0002068)

Amendment Since initial award the End Date has been extended from 09/29/25 to 12/31/25 and the total obligations have increased 604% from $2,300,000 to $16,200,000.