Quantum-Computing-Aided Materials Research and Development

OUSD (R&E) MODERNIZATION PRIORITY: Quantum Sciences TECHNOLOGY AREA(S): Materials The technology within this topic is restricted under the International Traffic in Arms Regulation (ITAR), 22 CFR Parts 120-130, which controls the export and import of defense-related material and services, including export of sensitive technical data, or the Export Administration Regulation (EAR), 15 CFR Parts 730-774, which controls dual use items. Offerors must disclose any proposed use of foreign nationals (FNs), their country(ies) of origin, the type of visa or work permit possessed, and the statement of work (SOW) tasks intended for accomplishment by the FN(s) in accordance with the Announcement. Offerors are advised foreign nationals proposed to perform on this topic may be restricted due to the technical data under US Export Control Laws. OBJECTIVE: This topic seeks to demonstrate the use of quantum computing-based modeling and simulation to design and develop lightweight structural materials. DESCRIPTION: The government has interest in developing quantum computing-based software to design new lightweight materials that surpass the strength to weight ratios of existing materials such as titanium and carbon/epoxy-based composites. Lightweight structures can provide benefit to missile systems through volume and mass reduction, allowing for increased interceptor range and decreased booster size. Quantum computers have the potential to exponentially outperform classical computers for certain problems, due to their use of qubits (rather than 0/1 bits) to store information, and to the property of quantum entanglement between bits. While reliable large-scale quantum computing remains some years away, many different organizations are currently making major progress. Quantum computing could be very effective for engineering new materials; recent interest from industry has resulted in early development of quantum methods that simulate the molecular interactions and material properties of the near-infinite number of possible material recipes with the goal to down-select based on desired material properties [1]. Design and simulation of the materials for this topic should ultimately be accomplished through quantum computing methods. Proposers may choose to focus on different lightweight structure types, such as metals or composites. The ultimate goal should be design of a completely new material. For example, consider high-entropy alloys which consist of 5 or more different elements [2]. Utilizing traditional computing to assess all the different combinations would be impractical, but quantum computing methods could more efficiently find an optimal composition for structural applications. Desired material properties include long-term stability at ambient conditions and retention of high strength to weight properties at elevated temperatures. PHASE I: Phase I should include a feasibility study investigating the use of a quantum software simulation capability that would enable engineering of materials. The software should involve a simulation of quantum interactions between atoms and the resulting properties. PHASE II: Phase II should include an investigation into the availability of quantum computing hardware that is able to support the software simulation capability developed in Phase I. Phase II should also include engineering of a candidate lightweight structural material that can be analyzed using the notional software from the Phase I. Fabrication of the engineered material is desired but not required. PHASE III DUAL USE APPLICATIONS: Phase III should combine the efforts of Phase I and Phase II to realize the engineered candidate material in physical form. Testing should be performed on the material to determine the accuracy of quantum software simulation predictions. REFERENCES: F. Bova, A. Goldfarb, and R. G. Melko, Commerical applications of quantum computing, EPJ Quantum Technology, vol.8, no. 1, 2021. E. P. George, D. Raabe, and R. O. Ritchie High-entropy alloys, Nature Reviews Materials, 2019. KEYWORDS: Quantum Computing; Engineered materials; Lightweight Structures; Modeling and Simulation; Combinatorics