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DOE OSTI2021

Evidence for a monolayer excitonic insulator

The interplay between topology and correlations can generate a variety of quantum phases, many of which remain to be explored. Recent advances have identified monolayer WTe 2 as a promising material for doing so in a highly tunable fashion. The ground state of this two-dimensional crystal can be electrostatically tuned from a quantum spin Hall insulator to a superconductor. However, much remains unknown about the gap-opening mechanism of the insulating state. In this work, we report evidence that the quantum spin Hall insulator is also an excitonic insulator, arising from the spontaneous formation of electron–hole bound states, namely excitons. We reveal the presence of an intrinsic insulating state at the charge neutrality point in clean samples and confirm the correlated nature of this charge-neutral insulator by tunnelling spectroscopy. We provide evidence against alternative scenarios of a band insulator or a localized insulator and support the existence of an excitonic insulator phase in the clean limit. These observations lay the foundation for understanding a new class of correlated insulators with nontrivial topology and identify monolayer WTe 2 as a promising candidate for exploring quantum phases of ground-state excitons.

36 MATERIALS SCIENCE↗

DOE OSTI2024

An Efficient Checkpointing System for Large Machine Learning Model Training

As machine learning models increase in size and complexity rapidly, the cost of checkpointing in ML training became a bottleneck in storage and performance (time). For example, the latest GPT-4 model has massive parameters at the scale of 1.76 trillion. It is highly time and storage consuming to frequently writes the model to checkpoints with more than 1 trillion floating point values to storage. This work aims to understand and attempt to mitigate this problem. First, we characterize the checkpointing interface in a collection of representative large machine learning/language models with respect to storage consumption and performance overhead. Second, we propose the two optimizations: i) A periodic cleaning strategy that periodically cleans up outdated checkpoints to reduce the storage burden; ii) A data staging optimization that coordinates checkpoints between local and shared file systems for performance improvement.

machine learning, artificial intelligence↗

DOE OSTI2024

Integrated Renewable Combined Heat and Power for Ethanol

Conference presentation at 48th International Technical Conference on Clean Energy (Clearwater Clean Energy Conference), Clearwater, Florida, June 16–19, 2024. This project evaluates the technical and economic feasibility of small‑scale combined heat and power (CHP) systems using corn stover to support bioenergy with carbon capture and storage (BECCS) at ethanol facilities. The work includes resource characterization, pilot‑scale gasification and CO 2 capture testing to support techno‑economic analysis, economic evaluation of CHP deployment and potential carbon revenue, and life‑cycle assessment of gasification‑based CHP systems.

09 BIOMASS FUELS↗

DOE OSTI2022

Review of the U.S. Policies, Codes, and Standards of Zero-Carbon Buildings

The global issue of climate change has accelerated the international commitment to net-zero carbon emission development. Decarbonizing the building sector has been put on several governments’ sustainable development agendas. To provide a reference for decarbonizing the building sector, this paper summarizes the U.S. experience in zero-carbon buildings (ZCBs) from the aspects of policies, codes, and standards at the federal and local levels and those of professional societies. Based on the definition and boundaries of ZCBs, this paper introduces policies on building energy efficiency, electrification, on-site renewable energy deployment, and “buy clean”, illustrating highlights in building phases, energy systems, materials production, and fiscal incentives. The synergic efforts and coordination between federal and local levels and with professional societies are also introduced. Successful experiences in policy and standard implementation are summarized, including the systemic work of multilevel governance, clearly defined goals and stringent policies, constant upgrades of codes and standards, transparency in reporting and information sharing, and increased financial and investment opportunities. This paper provides concrete recommendations for developing zero-carbon building policies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1988

High temperature solid lubrication by catalytically generated carbon

The wear process in bearings generates a clean active surface. Carbon is known to form readily on catalytic surfaces through the reduction of carbon oxides or hydrocarbon. Carbon, through the adsorption of hydrocarbons, water vapor, or oxygen, becomes an effective lubricant. If these three phenomena can be made to work together, a new concept of high temperature lubrication would be available. This paper presents laboratory investigations towards the development of this concept. Carbon has been successfully produced through catalytic reduction of ethylene on a variety of metallic and ceramic surfaces containing nickel. This carbon has been shown to reduce friction at a sliding interface at elevated temperatures.

Lauer, James L.↗

NASA NTRS1997

X-Ray Transmission Microscope Development

We have succeeded in meeting the goals set out in the proposal. A cadre of detector technologies is available to suit the requirements of the experiment. Resolutions of both real-time and absolute limits to resolution exceed the initial aspirations. Obtaining sufficient contrast is still a significant limitation but can be overcome by Judicious selection of the specimen composition. This can only take time and trial and error for a successful result. The 4th generation furnace provides the capability of real-time in-situ observations of composite alloy development. A low detection sensitivity however, has still made it difficult to observe dendritic growth, although it has been 'seen' in raw video; it was not a recordable signal. We have examined flight ampoules with XTM to observe particle and thermocouple placement, crucible flaws and cracks in collaboration with the Particle Pushing and Engulfment flight experiment (Dr. Stefanescu, UA, P.I.). The value of an in flight XTM to guard against experiment failure and safety assurance is obvious. Although not attributable to equipment limitations, a quest to observe particle pushing was not successful. We tried at length to prepare specimens that would demonstrate particle pushing. Instead, we were successful in imaging the interface deformation due to the thermal field distortion of a ceramic particle or void and to compare to calculated shapes. In theory, we should have been able to make major inroads to this field if the particles could be pushed and the velocities adjusted to make critical measurements. On the other hand, critical issues of sample preparation for the PEP flight experiment were established, particularly the clustering of particles and trapped voids. In this regard, the XTM did prove very useful so that flight specimens would work as expected and to perform post flight analysis. Although not a clear result, particle pushing of precipitates was observed in an Al-Si-Mn alloy. It may be that to be pushed, the particles need to be small and have clean surfaces like one might obtain from in-situ precipitation. The ability to image features in real time skill enable more fundamental and detailed understanding of solidification dynamics in microgravity than had previously been possible, thus, allowing the full benefits of microgravity experiments be applied towards rigorous testing of critical solidification models. The XTM is also a valuable tool for post solidification metallography. The 3-dimensional distribution of solute and solidification features within the specimen volume can be viewed without sectioning or other treatment when the solute has sufficiently higher atomic mass than the solvent. Thus the XTM could provide the first practical method for on orbit microstructural (metallographic) analysis by the astronauts or by telescience.

Kaukler, William F.↗

NASA NTRS2015

Implementing Marine Organic Aerosols Into the GEOS-Chem Model

Marine-sourced organic aerosols (MOA) have been shown to play an important role in tropospheric chemistry by impacting surface mass, cloud condensation nuclei, and ice nuclei concentrations over remote marine and coastal regions. In this work, an online marine primary organic aerosol emission parameterization, designed to be used for both global and regional models, was implemented into the GEOS-Chem model. The implemented emission scheme improved the large under-prediction of organic aerosol concentrations in clean marine regions (normalized mean bias decreases from -79% when using the default settings to -12% when marine organic aerosols are added). Model predictions were also in good agreement (correlation coefficient of 0.62 and normalized mean bias of -36%) with hourly surface concentrations of MOA observed during the summertime at an inland site near Paris, France. Our study shows that MOA have weaker coastal-to-inland concentration gradients than sea-salt aerosols, leading to several inland European cities having > 10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions with large contributions of freshly-emitted or aged aerosol having distinct physicochemical properties, potentially indicating optimal locations for future field studies.

Aerosols↗

NASA NTRSDate not supplied

A Cost and Benefit Analysis of Orbital Debris Remediation, Mitigation,Tracking, and Characterization

Orbital debris may collide with crewed and robotic spacecraft, placing them at risk. The wide range of debris, from 9,000-kilogram rocket bodies to millions of millimeter-size debris, has led to a similarly wide range of proposed actions for addressing the risks posed by debris. However, the costs and benefits of these actions have historically been unknown. This is a challenge for decision makers who are choosing which actions to support through technology development or policy changes. NASA’s Office of Technology, Policy, and Strategy is addressing these technical and economic uncertainties by building a capability to (1) complete rigorous calculations of the net present value of each action, (2) identify an optimal portfolio of actions to reduce risk, and (3) quantitatively analyze policies related to space sustainability. This report describes our progress toward that capability and to solicit feedback from the space and economic communities. Our previous work(Colvin, Karcz, and Wusk. 2023), referred to here as Phase 1, assessed the costs and benefits of performing debris remediation on operationally relevant timescales. The current paper summarizes the work of Locke and Colvin (2024), which contains major updates to the risk model used in Phase 1 and expands the breadth of actions considered to include mitigating the creation of debris, improving the ability to track debris, and more methods for cleaning up existing debris. We demonstrate that our approach of measuring risks in dollars allows for the effectiveness of seemingly incommensurate actions to be compared and generates insights that other approaches to measuring risk have missed.

Orbital Debris↗

DOE OSTI2024

GeoBridge: Connecting Communities to Geothermal Information and Opportunities: Preprint

The geothermal community is well established with long-standing events, organizations, and tools that are known across the geothermal community. But many of these tools and resources are located behind pay walls, require memberships, or are otherwise difficult to find, especially for people looking to join the geothermal community. These barriers to access can prevent outsiders from discovering valuable geothermal resources, limiting the geothermal community's potential for collaboration with other communities, such as clean energy entrepreneurs looking to expand into geothermal energy. The Department of Energy's (DOE) GeoBridge serves to bring these communities together by acting as a single, publicly accessible, searchable portal that facilitates easy access to available geothermal knowledge and information. It works to expand and diversify the pool of geothermal stakeholders by providing in-roads to geothermal information and community resources. It helps build a stronger geothermal community; one inclusive of individuals and groups from a variety of different backgrounds, including potential investors and start-up companies looking to accelerate innovation in geothermal technologies. By linking communities to geothermal information, analysis and expertise, GeoBridge serves as a launch point, directing interested parties to existing data and tools, events, educational resources, STEM programs, permitting and regulatory information, and other resources that can be used to evaluate, promote, and discover geothermal opportunities.

access↗

DOE OSTI2024

The Iowa Tribe of Kansas and Nebraska: Advancing Clean, Resilient, and Sovereign Energy

The Iowa Tribe of Kansas and Nebraska (ITKN) is a federally recognized Native American Tribe located along the Missouri River on the border of northeast Kansas and southeastern Nebraska. There are over 800 residents (Tribal citizens and non-Tribal) who live on the reservation, as well as more than 500 people who visit or work on the reservation on a daily basis. The ITKN faces many energy challenges, including rising service costs and dozens of power outages annually that impact resident well-being and business activities on Tribal lands. Power service issues are made more challenging by the remoteness of the reservation, which is 20 miles from the nearest town. Despite this, the ITKN has a long history of cultural and economic resilience: Local self-reliance, environmental stewardship, respecting the carrying capacity of the land, and strengthening the community are Tribal communities' traditional strengths. Long-term energy goals for the ITKN are centered around achieving energy sovereignty. Priority actions include: (1) Establishing a Tribal Utility Authority (TUA) to promote social welfare and community development.; (2) Deploying renewable community microgrids with ground-mount solar arrays and sustainable energy storage systems to advance energy sovereignty, resilience, and reliability. To advance these goals, the ITKN partnered with the U.S. Department of Energy's (DOE's) Communities LEAP (Local Energy Action Program) pilot. From August 2022 to March 2024, the ITKN community coalition collaborated with technical assistance providers at DOE's National Renewable Energy Laboratory (NREL) and Sandia National Laboratories to evaluate TUA planning needs and microgrid deployment scenarios. This fact sheet provides an overview of the results and outcomes from the Communities LEAP technical assistance process.

Communities Leap↗

DOE OSTI2025

GeoBridge: Connecting Communities to Geothermal Information and Opportunities

access↗

NASA NTRS2017

A Dose of Reality: Radiation Analysis for Realistic Human Spacecraft

INTRODUCTION As with most computational analyses, a tradeoff exists between problem complexity, resource availability and response accuracy when modeling radiation transport from the source to a detector. The largest amount of analyst time for setting up an analysis is often spent ensuring that any simplifications made have minimal impact on the results. The vehicle shield geometry of interest is typically simplified from the original CAD design in order to reduce computation time, but this simplification requires the analyst to "re-draw" the geometry with a limited set of volumes in order to accommodate a specific radiation transport software package. The resulting low-fidelity geometry model cannot be shared with or compared to other radiation transport software packages, and the process can be error prone with increased model complexity. The work presented here demonstrates the use of the DAGMC (Direct Accelerated Geometry for Monte Carlo) Toolkit from the University of Wisconsin, to model the impacts of several space radiation sources on a CAD drawing of the US Lab module. METHODS The DAGMC toolkit workflow begins with the export of an existing CAD geometry from the native CAD to the ACIS format. The ACIS format file is then cleaned using SpaceClaim to remove small holes and component overlaps. Metadata is then assigned to the cleaned geometry file using CUBIT/Trelis from csimsoft (Registered Trademark). The DAGMC plugin script removes duplicate shared surfaces, facets the geometry to a specified tolerance, and ensures that the faceted geometry is water tight. This step also writes the material and scoring information to a standard input file format that the analyst can alter as desired prior to running the radiation transport program. The scoring results can be transformed, via python script, into a 3D format that is viewable in a standard graphics program. RESULTS The CAD model of the US Lab module of the International Space Station, inclusive of all the racks and components, was simplified to remove holes and volume overlaps. Problematic features within the drawing were also removed or repaired to prevent runtime issues. The cleaned drawing was then run through the DAGMC workflow to prepare for analysis. Pilot tests modeling transport of 1GeV proton and 800MeV/A oxygen sources show that reasonable results are converged upon in an acceptable amount of overall computation time from drawing preparation to data analysis. The FLUKA radiation transport code will next be used to model both a GCR and a trapped radiation source. These results will then be compared with measurements that have been made by the radiation instrumentation deployed inside the US Lab module. DISCUSSION Early analyses have indicated that the DAGMC workflow is a promising toolkit for running vehicle geometries of interest to NASA through multiple radiation transport codes. In addition, recent work has shown that a realistic human phantom, provided via a subcontract with the University of Florida, can be placed inside any vehicle geometry for a combinatorial analysis. This added functionality gives the user the ability to score various parameters at the organ level, and the results can then be used as input for cancer risk models.

Barzilla, J. E.↗

DOE OSTI2021

Tritium Transport Phenomena in Molten-Salt Reactors: Molten Salt Tritium Transport Experiment Design

Tritium is produced from neutron interactions with both lithium and beryllium. Large quantities of tritium are generated in Molten Salt Reactors (MSRs) which use LiF/BeF2 (FLiBe) as the fuel salt. Tritium is unique among the radionuclide hazards as it readily permeates through metal structural materials at high temperatures. All metal surfaces are potential release paths for tritium. For adequate safety analysis and eventual licensing of new reactors, predictive models for tritium transport and release from MSRs must be developed. These models must account for the multiple transport phenomena involved with tritium: fuel salt phase mass transport, dissociation/recombination reactions on metal surfaces, interstitial diffusion through the metal structure, and salt or gas phase mass transport in the downstream fluid. These models also must also be validated with representative experiments. Our previous report outlined tritium transport phenomena involved in MSRs, made suggestions on gaps in the transport dataset, and proposed an experimental test stand to test combined transport effects – tritium transport through pipe walls in a convective salt flow. In this report, we summarize an updated analysis framework for tritium transport in MSRs, report our results on hydrogen and deuterium permeation through Hastelloy N, and describe the final design of the Molten Salt Tritium Transport Experiment (MSTTE, pronounced “misty”). The MSRE provides the only wholistic experimental data set for tritium transport in MSRs and understanding the transport phenomena involved in the MSRE is crucial for future model development. One set of parameters in our analysis framework was unknown for the MSRE—surface reaction rates for tritium on Hastelloy N. This warranted our hydrogen and deuterium permeation campaign to assess the permeability, diffusivity, and solubility of hydrogen isotopes in clean Hastelloy N. Surface reaction rate constants were probed by low pressure measurements, however, no surface effects were observed in the limits of our permeation apparatus. Permeation experiments on oxidized Hastelloy N were not performed for this report but are planned in future work. The experimental test stand, MSTTE, measures combined transport properties of the salt-metal system. MSTTE is a forced convection FLiBe loop with custom designed test section to measure tritium transport through candidate structural materials. We use MSRE relevant dimensionless numbers to design and scale the test section. Hastelloy N is a candidate loop and test section material due to the relevance for the MSRE and related designs, however, other metals are being considered (e.g. 316H SS) which may better align with current vendor concepts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Home Energy Efficiency for the Hill District

The Hill District neighborhood in Pittsburgh, Pennsylvania worked with the U.S. Department of Energy through the Communities LEAP (Local Energy Action Program) pilot to explore strategies that improve residential energy efficiency, support the transition to renewable energy, and identify potential funding streams for increased neighborhood investment. Communities LEAP is supporting clean energy transitions in 24 communities across the United States that are facing energy-related challenges.

community↗

DOE OSTI2025

Dynamic Low-Rank Training with Spectral Regularization: Achieving Robustness in Compressed Representations

Deployment of neural networks on resource-constrained devices demands models that are both compact and robust to adversarial inputs. However, compression and adversarial robustness often conflict. In this work, we introduce a dynamical low-rank training scheme enhanced with a novel spectral regularizer that controls the condition number of the low-rank core in each layer. This approach mitigates the sensitivity of compressed models to adversarial perturbations without sacrificing clean accuracy. The method is model- and data-agnostic, computationally efficient, and supports rank adaptivity to automatically compress the network at hand. Extensive experiments across standard architectures, datasets, and adversarial attacks show the regularized networks can achieve over 94\% compression while recovering or improving adversarial accuracy relative to uncompressed baselines.

Schotthoefer, Steffen [ORNL] (ORCID:00000002156965↗

DOE OSTI2025

Dynamical Low-Rank Compression of Neural Networks with Robustness under Adversarial Attacks

Deployment of neural networks on resource-constrained devices demands models that are both compact and robust to adversarial inputs. However, compression and adversarial robustness often conflict. In this work, we introduce a dynamical low-rank training scheme enhanced with a novel spectral regularizer that controls the condition number of the low-rank core in each layer. This approach mitigates the sensitivity of compressed models to adversarial perturbations without sacrificing clean accuracy. The method is model- and data-agnostic, computationally efficient, and supports rank adaptivity to automatically compress the network at hand. Extensive experiments across standard architectures, datasets, and adversarial attacks show the regularized networks can achieve over 94 compression while recovering or improving adversarial accuracy relative to uncompressed baselines.

Schotthoefer, Steffen [ORNL] (ORCID:00000002156965↗

DOE OSTI2023

Advanced Analytical Methodologies Enable Feedstock Screening and Correlation to Pyrolysis Yields and Catalytic Upgrading

Pyrolysis of lignocellulosic biomass can serve as a powerful pathway for the generation of renewable fuels and industrial products. However, procurement of some biomass may be costly, especially when there is competition for alternative uses. Forestry and agricultural byproducts may serve as valuable pyrolysis feedstocks due to their high availability and low cost. Although waste products may fill demand for affordable pyrolysis feedstocks, they are often high in ash and extractives which contribute to unfavorable changes in pyrolysis vapor composition, as well as end products. The work presented here investigates the correlations between various pine anatomical fractions to understand their effect on pyrolysis oil composition for forest residues. Analytical pyrolysis coupled to direct analysis by molecular beam mass spectrometry (MBMS) provides real-time monitoring of pyrolysis vapor composition, even for compounds that are not amenable to gas chromatography. Statistical analysis of MBMS data from the fast pyrolysis (FP) of clean pine, cambium, twigs and branches, needles, bark, and a forest residue samples revealed that bark and needles made the greatest differences in the vapor composition of forest residues during pyrolysis and were enriched in resin acids, furfural derivatives, and ions that have been previously observed from catalysis corresponding to ash content. These results were also compared to catalytic fast pyrolysis (CFP) using a platinum on titania catalyst, and correlations between FP and CFP products were observed for the anatomical fractions. The forest residues and corresponding anatomical fractions from a stand of 23-year-old pine will be converted by fast pyrolysis in a bench-scale 2-inch fluidized-bed reactor, and statistical correlations between the bench-scale products and analytical-scale pyrolysis vapors will be shown. This work highlights the power of advanced analytical methodologies in determining the contributions of vapor components to catalytic pyrolysis outcomes for mixed feedstocks and demonstrates the use of analytical methodologies to better screen feedstocks prior to pyrolysis.

analytical↗

DOE OSTI2020

Spectral form factors of clean and random quantum Ising chains

We compute the spectral form factor of two integrable quantum-critical many-body systems in one spatial dimension. The spectral form factor of the quantum Ising chain is periodic in time in the scaling limit described by a conformal field theory; we also compute corrections from lattice effects and deviation from criticality. Iin this work, criticality in the random Ising chain is described by rare regions associated with a strong randomness fixed point, and these control the long-time limit of the spectral form factor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗