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DOE OSTI2025

Mixed Reality Training and Workspace Integration

Mixed reality technology is being used across Idaho National Laboratory (INL) to enhance training and workforce development. Projects involving mixed reality such as lockout/tagout , the Industrial Control System Laboratory , and a Department of Defense microreactor demonstration have benefited from these innovative approaches. Several key concerns exist with integrating this new technology, including ease of use, ease of setup, and maintenance through the lifecycle. These aspects need to be properly addressed to ensure that this technology remains attractive and useful to operations teams as well as engineers and researchers at INL. Primarily, this requires buy-in from information technology management, designing software/hardware-agnostic tools, and reducing friction with technology integration. To be successful, regular operational use of this new and unfamiliar technology will require straightforward user interfaces, simple setup processes, and feature-rich experiences that reduce the time needed to benefit from the technology. INL is improving its toolset to allow for a streamlined deployment and use of mixed reality technologies that are directly available to researchers and engineers.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Building and experimenting with an agent-based model to study the population-level impact of CommunityRx, a clinic-based community resource referral intervention

CommunityRx (CRx), an information technology intervention, provides patients with a personalized list of healthful community resources (HealtheRx). In repeated clinical studies, nearly half of those who received clinical “doses” of the HealtheRx shared their information with others (“social doses”). Clinical trial design cannot fully capture the impact of information diffusion, which can act as a force multiplier for the intervention. Furthermore, experimentation is needed to understand how intervention delivery can optimize social spread under varying circumstances. To study information diffusion from CRx under varying conditions, we built an agent-based model (ABM). This study describes the model building process and illustrates how an ABM provides insight about information diffusion through in silico experimentation. To build the ABM, we constructed a synthetic population (“agents”) using publicly-available data sources. Using clinical trial data, we developed empirically-informed processes simulating agent activities, resource knowledge evolution and information sharing. Using RepastHPC and chiSIM software, we replicated the intervention in silico, simulated information diffusion processes, and generated emergent information diffusion networks. The CRx ABM was calibrated using empirical data to replicate the CRx intervention in silico. We used the ABM to quantify information spread via social versus clinical dosing then conducted information diffusion experiments, comparing the social dosing effect of the intervention when delivered by physicians, nurses or clinical clerks. The synthetic population (N = 802,191) exhibited diverse behavioral characteristics, including activity and knowledge evolution patterns. In silico delivery of the intervention was replicated with high fidelity. Large-scale information diffusion networks emerged among agents exchanging resource information. Varying the propensity for information exchange resulted in networks with different topological characteristics. Community resource information spread via social dosing was nearly 4 fold that from clinical dosing alone and did not vary by delivery mode. This study, using CRx as an example, demonstrates the process of building and experimenting with an ABM to study information diffusion from, and the population-level impact of, a clinical information-based intervention. While the focus of the CRx ABM is to recreate the CRx intervention in silico, the general process of model building, and computational experimentation presented is generalizable to other large-scale ABMs of information diffusion.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Human Factors in Discovery Phase of TRLs and HRLs

With rapid growth in technology, there has been a corresponding growth in research focused on the ways that human-machine interactions can be improved. As part of that work, researchers have explored how human expertise can inform technology design and evaluation. For example, interaction with subject matter experts (SMEs) or end users can help to design and enhance a machine. The human factors of technology release can be divided into five steps: discovery, planning, development, evaluation, and deployment. This framework is a higher-level abstraction of the Human Readiness Levels for technology use and adoption (See, et al., 2018). In this exposition, we discuss how human factors methodologies, principles, and practices can be realized in the first phase, Discovery, of the technology development process.

Jefferson, Brett A.↗

DOE OSTI2021

Informing Cybersecurity Decisions With the Value-at-Risk Framework

Security at every site is critical to making hydropower a strong contributor to the country's grid, but with ongoing development and expanding capabilities, the diversity of the existing hydropower fleet makes across-the-board investment decisions difficult. The threat of cyberattacks naturally increases as the interconnection of Information Technology and Operational Technology networks broadens. Hydropower plants require custom analyses that are specific to the unique challenges and characteristics of any given facility. Facilities, however, often do not have the necessary resources for managers to make informed decisions on investments based on assessed capabilities and risks.

50 EE - Wind and Water Power Program - Water (EE-4↗

DOE OSTI2023

Informing Cybersecurity Decisions With the Value-at-Risk Framework

cybersecurity↗

DOE OSTI2020

2020 Annual Merit Review, Vehicle Technologies Office

The 2020 U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy’s (EERE) Vehicle Technologies Office (VTO) Annual Merit Review (AMR) was held June 1-4, 2020, virtually, due to extenuating circumstances resulting from the global Coronavirus (COVID-19) pandemic. The review encompassed work done by VTO: 292 individual activities were reviewed by 334 reviewers. Exactly 1,133 individual review responses were received for the VTO technical reviews. The objective of the meeting was to review the accomplishments and plans for VTO over the previous 12 months, and provide an opportunity for industry, government, and academia to give inputs to DOE with a structured and formal methodology. The meeting also provided attendees with a virtual forum for interaction and technology information transfer.

25 ENERGY STORAGE↗

DOE OSTI2024

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era

Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era. This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. Further, it first reviews the basic concepts of data, information, knowledge, database, and database system as well as the pros and cons in different types of data management and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and, furthermore, provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era

Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era.This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. It first reviews the basic concepts of data, information, knowledge, database, and database system; as well as the pros and cons in different types of data management, and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and furthermore provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.

Ren, Weiju↗

DOE OSTI2020

Method for Assessment of Security-Relevant Settings in Anomaly-Based Intrusion Detection for Industrial Control Systems

Ensuring the integrity of Ethernet-based networks is a challenging and constantly evolving domain. This problem is exacerbated for those operational technology (OT) networks supporting industrial control systems (ICS) since much of that equipment was originally designed to be on a network that was isolated and generally considered free of malefactors. Increasing pressure to bridge these systems with traditional information technology (IT) networks has introduced a bevy of new threats. In response, both academia and industry have responded with security solutions tailored to ICS environments. Deploying these protection systems often involves several configuration choices. While some of these choices are clear (e.g., block/enable protocol X) others are far more subjective (e.g. alert threshold == 3.43). Further complicating the situation, while often similar to IT networks, OT networks have unique challenges and characteristics that make the task of protecting them simultaneously more difficult and straight forward.Extant solutions for quantifying the relative security of intrusion detection systems fail to effectively support the operators of said systems with understanding the impact of various configuration changes. Further, they assume that the attacks are static and not subject to manipulation or alteration in the face of defenses. In this paper, we present a threat-based method for quantifying the relative impact of various security settings for intrusion detection systems (IDSs) within ICS environments. This method provides operational staff with a clear understanding of the relative impact of their settings and assumes that the attacks levied against them are dynamic. The model is described in detail, we apply the model to a synthetic data set, and discuss the inferences that can be made and what types of decisions they could be used to support.

Gillen, Rob↗

DOE OSTI2020

Perovskite-Derivative Valleytronics

Halide perovskites are revolutionizing the renewable energy sector owing to their high photovoltaic efficiency, low manufacturing cost, and flexibility. Their remarkable mobility and long carrier lifetime are also valuable for information technology, but fundamental challenges like poor stability under an electric field prevent realistic applications of halide perovskites in electronics. Here, it is discovered that valleytronics is a promising route to leverage the advantages of halide perovskites and derivatives for information storage and processing. The synthesized all-inorganic lead-free perovskite derivative, Cs 3 Bi 2 I 9 , exhibits strong light-matter interaction and parity-dependent optically addressable valley degree of freedom. In this work, robust optical helicity in all odd-layer-number crystals with inversion symmetry breaking is observed, indicating excitonic coherence extending well beyond 11 layers. The excellent optical and valley properties of Cs 3 Bi 2 I 9 arise from the unique parallel bands, according to first principles calculations. This discovery points to new materials design principles for scalable valleytronic devices and demonstrates the promise of perovskite derivatives beyond energy applications.

2D materials↗

DOE OSTI2020

Cybersecurity Resiliency of Marine Renewable Energy Systems-Part 1: Identifying Cybersecurity Vulnerabilities and Determining Risk

Technology innovation, market demand, and the potential impacts of a changing climate are driving the marine renewable energy (MRE) industry to develop market-ready systems to provide low-carbon electricity for emerging, off-grid markets. The advanced operational and information technology devices used in MRE systems create a pathway for a cyber threat actor to gain unauthorized access to data or disrupt operation. To improve the resiliency of MRE systems as a predictable, affordable, and reliable source of energy from oceans and rivers, guidance was developed for an end users' organization that describes a framework for identifying and managing cybersecurity risk. The development of the cybersecurity guidance is based on standards described in the Risk Management Framework and Cybersecurity Framework developed by the National Institute of Standards and Technology (NIST). This paper is the first of a two-part series that describes an approach to determine the cybersecurity risk for MRE systems based on assessing potential cyber threats, identifying vulnerabilities (people, processes, and technology, including physical and operational environment), and evaluating the consequences a cyberattack would have on operation of the MRE system and impact on end users' mission and business objectives. MRE developers and stakeholders can use this approach to assess their current cybersecurity risk posture to incorporate appropriate cybersecurity controls to reduce the consequences and impacts from a cyberattack on MRE systems. This approach can be refined further as MRE systems are deployed and operational configurations are available.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Support for the Core Research Activities and Studies of the Computer Science and Telecommunications Board (DE-SC0020446 Final Technical Report)

Supported the core operations of the National Academies' Computer Science and Telecommunications Board (CSTB). Helped support planning and conducting of board meetings, identification of priority topics in computer science and other areas of computing and communications technologies, and oversight for CSTB's portfolio of studies and convenings. Activities shaped and overseen included: a workshop on Al for scientific discovery; collaborative work with other Academies units on a study on foundational research gaps and future directions for digital twins; a study on current capabilities, future prospects, and governance of facial recognition technologies, a study on post- exascale computing; a study on fostering responsible computing research, collaborative work with other Academies units on automated research workflows for accelerated scientific discovery; a study on meeting federal cybersecurity workforce needs, and a study of the ecosystem driving information technology innovation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

DOE Plasma Science Center - Predictive Control of Plasma Kinetics: Multi-Phase and Bounded Systems (Final Report DE-SC0001939)

Low temperature plasmas (LTPs) are the plasmas of electron-volt (eV) physics and eV technologies. LTPs have characteristic electron temperatures of a few eV and fractional ionizations that are typically small. Since LTPs have electron temperatures commensurate with the threshold energies of excited states in neutral atoms and molecules, power transfer from electrons to these atoms and molecules efficiently produces activated species (e.g., radicals, excited states, photons). Acceleration of ions in the sheaths of LTPs to energies of tens to hundreds of eV enable activation of surface modifying processes – sputtering, etching, deposition. With such properties, LTPs are often and beneficially used in technological devices, ranging from etching and deposition in microelectronics and solar cell fabrication, to hardening of surgical instruments. LTPs harbor fundamental science issues that are intellectually challenging and rewarding. At the same time, there are enormous societal benefits that are enabled by LTPs. The entire present-day and future information technology infrastructure owes its very existence to LTPs. Renewable energy sources, such as solar cell arrays, could not be economically produced in the absence of deposition and etching by LTPs. In acknowledgment of the importance of LTPs, the DOE Office of Fusion Energy Sciences supported the Plasma Science Center for Predictive Control of Plasma Kinetics: Multi-Phase and Bounded Systems from August 2009 to July 2021, consisting of an initial 5-year grant, 3 funded extensions and 2 no-cost extensions. This is the final report of the Center in which the productivity of the Center is discussed in terms of publications, impact and personnel. High-lights of the research performed in the Center are provided.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Quantum Information Encoding and Decoding for Quantum Sensi

This two-year theory project focused on theoretical investigations of novel paradigms for quantum sensing, building on information encoding and techniques from quantum error correction, quantum computing and other quantum information domains. The outcomes facilitate quantum information technology development, especially at the interface of quantum computing and quantum sensing. The results of the project show new use cases and new paradigms for quantum sensing beyond what has so far been considered. One outcome shows how quantum sensing opens new opportunities for fundamental physics such as the capability of single graviton detection. Another outcome reveals a new application of NISQ quantum computers with error correction for metrology, building on recent advances in practical quantum error correction implementation. The third outcome of the project creates new paradigms of back-action-evading sensing inspired by collective quantum information encoding, which achieves quantum sensing beyond the quantum limit without the use of entanglement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Pathways to commercial building plug and process load efficiency and control

Abstract To accomplish net-zero carbon emissions in the built environment by 2050, we must equitably decarbonize commercial buildings, including reducing plug and process loads (PPLs). PPLs are plug-in or hardwired electric and gas loads that are not associated with major building end uses like lighting and HVAC. Research shows PPL energy reduction strategies and control technologies have the potential to save energy. But even when implemented, these savings have rarely been achieved and there has not been widespread uptake in U.S. commercial buildings. We investigate why these technologies and strategies have not seen widespread adoption and identify behavior and technology pathways to increase PPL reduction in U.S. commercial buildings. We examined behaviors of commercial building stakeholders through 44 interviews and cross-referenced qualitative analysis findings with in-depth technical knowledge of existing PPL control technologies and reduction strategies. PPL control implementation must be paired with management strategies, such as occupant engagement and training, to achieve optimal savings, and best practices should be disseminated across the industry. We found that increasing access to cost and energy savings data will promote uptake of PPL control technologies and allow designers to better incorporate PPLs into building design. Improving access to funding for PPL energy efficiency projects and addressing the split-incentive problem will increase adoption of PPL efficiency and control. Code bodies should continue to include PPL monitoring and reduction measures in energy codes. Key building stakeholders, including cybersecurity and information technology teams, should be involved in PPL monitoring and reduction strategy processes for successful implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Computational design of quantum defects in two-dimensional materials

We report missing atoms or atom substitutions (point defects) in crystal lattices in two-dimensional (2D) materials are potential hosts for emerging quantum technologies, such as single-photon emitters and spin quantum bits (qubits). First-principles-guided design of quantum defects in 2D materials is paving the way for rational spin qubit discovery. Here we discuss the frontier of first-principles theory development and the challenges in predicting the critical physical properties of point defects in 2D materials for quantum information technology, in particular for optoelectronic and spin-optotronic properties. Strong many-body interactions at reduced dimensionality require advanced electronic structure methods beyond mean-field theory. The great challenges for developing theoretical methods that are appropriate for strongly correlated defect states, as well as general approaches for predicting spin relaxation and the decoherence time of spin defects, are yet to be addressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

2019 Vehicle Technologies Office Annual Merit Review Report

The 2019 U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy’s (EERE) Vehicle Technologies Office (VTO) Annual Merit Review (AMR) was held June 10-13, 2019, in Arlington, Virginia. The review encompassed work done by VTO: 287 individual activities were reviewed by 272 reviewers. Exactly 1,162 individual review responses were received for the VTO technical reviews. The objective of the meeting was to review the accomplishments and plans for VTO over the previous 12 months, and provide an opportunity for industry, government, and academia to give inputs to DOE on the Office with a structured and formal methodology. The meeting also provided attendees with a forum for interaction and technology information transfer.

03 NATURAL GAS↗

DOE OSTI2023

Cyber-CHAMP White Paper

Cyber-CHAMP white paper intern school assignment. Worldwide there is a tremendous shortfall in the cybersecurity workforce. By 2021, researchers have forecasted a deficit of 3.5 million cyber professionals. As workforce capabilities diminished, the world's cybersecurity threats have continued to multiply. Industrial control systems (ICSs) and their operational technology (OT) components became more vulnerable to attack and compromise. When an ICS is compromised, attackers can cause widespread impacts on national security, public health, and safety. This capacity makes ICSs attractive targets, with 90% of surveyed OT organizations reporting a damaging cyberattack in the last two years. To address the risk to ICSs, personnel must be competent in operational best practices and the latest threats. While frameworks for information technology (IT) cybersecurity education have been developed, educational standards for OT cybersecurity are nonexistent.

97 MATHEMATICS AND COMPUTING↗