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At least 127 records · Page 7

Revealing conductivity of p-type delta layer systems for novel computing applications

This project uses a quantum simulation technique to reveal the true conducting properties of novel atomic precision advanced manufacturing materials. With Moore's law approaching the limit of scaling for the CMOS technology, it is crucial to provide the best computing power and resources to National Security missions. Atomic precision advanced manufacturing-based computing systems can become the key to the design, use, and security of modern weapon systems, critical infrastructure, and communications. We will utilize the state-of-the-art computational methodology to create a predictive simulator for p-type atomic precision advanced manufacturing systems, which may also find applications in counterfeit detection and anti-tamper.

97 MATHEMATICS AND COMPUTING↗

LDRD 2022 Annual Report: Laboratory Directed Research and Development Program Activities

Each year, Brookhaven National Laboratory (BNL) is required to provide a report of its completed Laboratory Directed Research and Development Program (LDRD) projects to the Department of Energy (DOE) Office of Scientific and Technical Information in accordance with DOE Order 413.2C Chg1 (MinChg) dated August 2, 2018. This report provides a detailed look at the scientific and technical activities for each of the LDRD projects funded by BNL in FY 2022, in fulfillment of that requirement. In FY 2022, the BNL LDRD Program funded 70 projects, 30 of which were new starts, at a total cost of $17.2M. The investments that BNL makes in its LDRD program support the Laboratory’s strategic goals. BNL has identified seven scientific initiatives that define the Laboratory’s scientific future and that will enable it to realize its overall vision. This requires simultaneous excellence in all aspects of BNL’s work – from science and operations, to external partnerships with the local, state, and national communities, and beyond. This is enabled by safe, efficient, and secure operations; by an unwavering commitment to a diverse, equitable, and inclusive environment, including workforce development, both with staff and reaching out to the community; and by a strong focus on renewed infrastructure. The seven scientific initiatives are: 1) Nuclear Physics: uncover the structure of visible matter by constructing and operating the Electron-Ion Collider at BNL to maintain international leadership in nuclear physics for decades; 2) Clean Energy and Climate: support a net-zero U.S. economy through fundamental research in basic energy and climate sciences to revolutionize grid-scale storage, renewable integration, and the study of atmospheric processes with a new facility to improve climate predictability; 3) Quantum Information Science and Technology: discover new quantum materials to enhance quantum computers and develop an entanglement sharing quantum network as a prototype for the first quantum internet; 4) Discovery Science Driven by the Human-AI Facility Integration: revolutionize the operation of experiments across the sciences at user facilities and in core programs; 5) High Energy Physics: understand the origin of space and time with the ATLAS high luminosity upgrade at CERN and the future Long Baseline Neutrino Facility/Deep Underground Neutrino Experiment; 6) Isotope Production: accelerate and expand isotope production to ensure the security of the Nation’s supply; 7) Accelerator Science and Technology: harness the cross-cutting accelerator science expertise at BNL to develop new facilities, improve and expand its user facilities, and promote the use of accelerators in industry. The funded projects support BNL’s seven scientific initiatives and priority programs as well as new areas of research and competencies at the Laboratory that are consistent with the Laboratory’s vision and mission. In total, these LDRD investments supported 43 postdoctoral researchers in whole or in part and resulted in 138 publications and 7 awards. This Program Activities Report represents the future of BNL science; it is an impressive body of exploratory work that investigates many scientific and technical directions in support of the DOE and BNL missions.

99 GENERAL AND MISCELLANEOUS↗

equivariant_electron_density

SAND2022-3548 O This code contains scripts that allow users to generate molecular electron densities, train a machine learning model to predict electron densities, and analyze the accuracy of machine learned electron densities. It accompanies a publication titled "Cracking the Quantum Scaling Limit with Machine Learned Electron Densities.” Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rackers, Joshua↗

Pynta v. 1.0.0

SAND2021-1508 O The Pynta code is designed to automatically characterize chemical reactions relevant to heterogeneous catalysis in which gas-phase molecules interact with crystal facets of a solid. It organizes multiple quantum chemistry calculations to carry out this task. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Gierada, Maciej↗

Incorporation of Physics Phenomenology into an Adaptive Algorithm Framework (Final Report)

We attempt to incorporate prior physics knowledge into a machine learning architecture at an applied application level (empirical) as opposed to the level of fundamental physics (first principles). The purpose of this work is to allow for the application of methods of physics-informed machine learning to a broad range of national security problems, while enhancing the trust in machine-learned models by decreasing the “black box” nature of such methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Extending quantum key distribution through proxy re-encryption

Modern quantum key distribution (QKD) network designs are based on sending photons from one node to another and require free-space or dedicated fiber optic cables between nodes. The purpose of this is to co-generate secret key material on both sides of the quantum channel. In addition to this quantum link, there are several insecure classical channels that allow QKD algorithms to exchange book-keeping information and send symmetrically encrypted data. The attenuation of photons transmitted through fiber becomes too high to practically generate key material over fiber at distances of more than 100 km. Free-space transmission through the atmosphere or the vacuum of space can reduce attenuation, but at the cost of system complexity and sensitivity to other impairments, such as weather. To extend the effective range of QKD networks, we present a method that combines QKD algorithms with post-quantum, homomorphic key-switching to allow multiple parties to effectively share secret key material over longer distances through semi-trusted relay nodes. We define how such a system should work for arbitrary network topologies and provide proofs that our scheme is both correct and secure. We assess the feasibility of this solution by building and evaluating two implementations based on lattice-based cryptography: learning with errors.

97 MATHEMATICS AND COMPUTING↗

sbovqaopt: Surrogate-based optimizer for variational quantum algorithms v.0.1.0

SAND2022-13232 O The sbovqaopt package provides a surrogate-based optimizer for variational quantum algorithms as introduced in the journal publication of the same title. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Radiographic Imaging and Tomography

Radiographic imaging and tomography (RadIT) come in many flavors such as X-ray imaging and tomography (IT), proton IT, neutron IT, muon IT, neutrino IT, etc. We identify five RadIT themes: Physics, Sources, Detectors, Methods, and Data Science, which are integral parts of image interpretation and three-dimensional (3D) tomographic reconstruction. Traditionally, RadIT have been driven by medicine, non-destructive testing, material sciences, and security applications. The latest thrusts of growth come from automation, machine vision, additive manufacturing and virtual reality (‘metaverse’). The five RadIT themes parallel their counterparts in optical IT. Synergies among different forms of RadIT and with optical IT motivate further advances towards multi-modal IT and quantum IT.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantum Manifold Learning

SAND2022-12600 O Quantum Manifold Learning is a Python code to perform manifold learning from point clouds. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sarovar, Mohan↗

Advanced Energy Storage for Extreme Conditions (AESTEC) (Abbreviated Final Report)

This project developed a new capability for designing and fabricating energy storage devices that function in extreme conditions detrimental to conventional devices (e.g. temperature, mechanical stress, etc.). This new toolset tackled critical phenomenological challenges which led to materials and designs that enable high performance energy storage in conditions relevant to national security missions and the broader energy storage community.

25 ENERGY STORAGE↗

Cybersecurity Considerations for Emerging Energy Technologies

AI, cloud computing, post-quantum cryptography, zero-trust architectures, microgrids, and virtual power plants. What do these things have in common? They are all emerging technologies in the clean energy space that will be a critical part of grid modernization efforts. As we work towards clean energy and decarbonization targets, these technologies, developed to solve real-world problems, will help us reach goals and achieve new efficiencies as the paradigm of grid operation shifts. However, there are growing concerns about the cybersecurity risks associated with these trending topics as they are used in critical infrastructure applications. This talk will cover gaps, challenges, and opportunities for the secure implementation of grid modernization solutions and novel energy applications of state-of-the-art networking and communications. Proactive risk mitigation strategies, including the application of cyber-informed engineering, will be discussed. Practical applications of these techniques will help provide countermeasures to the impact of cyberattacks on critical infrastructure technologies in a new, digitized grid landscape.

14 SOLAR ENERGY↗

Los Alamos National Laboratory Director's Strategic Resilience Initiative

The Director’s Strategic Resilience Initiative was created late in 2019 in recognition of the changing geo-political climate. The renewed strategic competition between Russia, China, and the United States, noted in the 2018 National Defense Strategy and the 2018 Nuclear Posture Review, put great power rivalry and competition at the forefront of national security considerations. At the same time, Russian President Vladimir Putin’s March 1, 2018, speech and China’s October 1, 2019, National Day Military Parade, underscored the nuclear dimensions of this new strategic competition. Accompanying this changed strategic environment are rapid advances in an expansive array of relevant technological sectors including affordable and comprehensive global communication and reconnaissance assets, autonomous vehicles, quantum computing, advanced manufacturing, and artificial intelligence.

99 GENERAL AND MISCELLANEOUS↗

Depolymerizable and recyclable luminescent polymers with high light-emitting efficiencies

Luminescent polymers are of great interest in a number of photonic technologies, including electroluminescence, bioimaging, medical diagnosis, bio-stimulation and security signage. Incorporating depolymerizability and recyclability into luminescent polymers is pivotal for promoting their sustainability and minimizing their environmental impacts at the end of the product lifecycle, but existing strategies often compromise the light-emitting efficiencies. Here, in this study, we develop a strategy that utilizes cleavable moiety to create depolymerizable and recyclable thermally activated delayed fluorescence (TADF) polymers without compromising their high light-emitting efficiencies. The electroluminescent devices based on the TADF polymers achieved a high external quantum efficiency of up to 15.1 %. The TADF polymers can be depolymerized under either mild acidic or heating conditions, with precise control of the kinetics, and the obtained pure monomers can potentially be isolated and repolymerized for subsequent life applications. This work promotes the end-of-life environmental friendliness and circularity of luminescent materials, paving the way to a sustainable photonic industry. Developing depolymerizable and recyclable polymers with high light-emitting efficiencies is of vital importance for sustainable photonic technologies, but remains challenging. Here the authors design a strategy to develop such polymers based on the use of controllable cleavable moiety.

36 MATERIALS SCIENCE↗

Promise of nonthermal plasmas in addressing emerging environmental and health problems: Present and future

Nonthermal atmospheric pressure plasmas transform input electrical energy efficiently into reactive species, charged particles, and photons. This “activated gas” is being investigated as solutions for a range of environmental and health problems facing society today. In this Perspective, we take a cursory look at a few of these societal problems and the reflected role that plasmas may play in charting the pathway to a solution buoyed by supporting research. Here, we survey the plasma-based opportunities in the removal of trace contaminants in water supporting methodologies such as water reuse, which addresses scarcity and pollution, the opportunity posed by plasmas-based chemical depolymerization for plastics recycling, and the application of plasmas for food security, which includes sterilization of foodstuffs and the improvement of crop yield. Finally, we also included a short review on how plasmas may help control disease spread. In each case, the scope of the problem is presented along with the potential plasma-based solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gauss Sum Strong Simulation v.0.1

Universal quantum circuits can be formulated in the Pauli measurement-based formalism as input T gate magic states, Clifford gates, and then multi-Pauli measurements. This code simulates single-Pauli measurements to show some theoretical bounds on the cost of full multi-Pauli measurements. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2020-14080 O

SciDAC↗