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DOE OSTI2025

JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency

With growing energy supply concerns and rising costs, energy efficiency is a critical component of industrial energy resilience and competitiveness by directly reducing energy operating costs. Energy efficiency projects in manufacturing also yield valuable benefits to other key metrics, such as improved quality, reduced maintenance costs, improved safety, decreased pollution, and enhanced productivity. However, it is difficult to receive approval for energy efficiency projects, so implementation rates are low, even when meeting capital project payback period criteria. The inclusion and quantification of non-energy benefits (NEBs) in the decision-making process for energy efficiency projects can improve the overall financial payback period while demonstrating a positive impact on the firm's key performance metrics and business strategy. Despite their significant financial and strategic value, NEBs are rarely factored into decision-making due to lack of tools to effectively identify and quantify them. Therefore, a comprehensive and integrative approach is needed for the rapidly evolving energy landscape. To address these challenges, through funding from U.S. Department of Energy, our new assessment methodology integrates common continuous improvement six sigma concepts, such as the DMAIC process, and a protocol of guiding questions, into energy efficiency assessments to identify NEBs. We have also developed open-source software, JUSTIFI, to guide users through this process, data collection, and quantification. It is designed to be used concurrently with DOE energy system analysis software suite, MEASUR. Our methodology and tools inform energy assessors, firm engineering, decision makers, and workforce seeking to increase energy resilience and to maximize benefits aligned with performance metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1990

Laser annealing of amorphous/poly: Silicon solar cell material flight experiment

The preliminary design proposed for the microelectronics materials processing equipment is presented. An overall mission profile, description of all processing steps, analysis methods and measurement techniques, data acquisition and storage, and a preview of the experimental hardware are included. The goal of the project is to investigate the viability of material processing of semiconductor microelectronics materials in a micro-gravity environment. The two key processes are examined: (1) Rapid Thermal Annealing (RTA) of semiconductor thin films and damaged solar cells, and (2) thin film deposition using a filament evaporator. The RTA process will be used to obtain higher quality crystalline properties from amorphous/poly-silicon films. RTA methods can also be used to repair radiation-damaged solar cells. On earth this technique is commonly used to anneal semiconductor films after ion-implantation. The damage to the crystal lattice is similar to the defects found in solar cells which have been exposed to high-energy particle bombardment.

Cole, Eric E.↗

NASA NTRS2019

Dormancy Should Be Avoided for Mars and Deep Space Recycling Life Support

Mars is the crucial goal of human exploration beyond the Earth-moon system. The Mars round trip transit vehicle has been expected to use a regenerative Life Support System (LSS) similar to the one on the International Space Station (ISS). It often assumed that the Mars transit LSS will be operated on the outward trip to Mars, placed in dormancy while the full crew explores the surface, and then restored to operation for the return trip to Earth. The major difference between Mars missions and operations in the Earth-moon system is the need for much higher reliability for Mars missions, since rapid resupply of parts and materials or a quick crew return to Earth are not possible. Mars systems must achieve intrinsic high reliability by design, test, failure analysis, and redesign and then increase operational robustness by providing spare parts and redundant systems. Further requiring the LSS to be capable of dormancy and restoration to operation greatly increases the difficulty of design, test, and verification. The process of implementing dormancy and then restoring operation would add significant risk to the mission. Dormancy should be avoided for Mars and can be avoided several ways. First and most obvious, some crew can remain continually on board. If no crew can remain onboard, dormancy can still be avoided if an unused spare LSS is activated for the return trip, rather than restarting the used out bound system. Systems similar to the ISS LSS would have a significant probability of failure on a Mars trip and therefore would require two or three spares. Another full spare LSS could be provided as the return trip system, rather than refurbishing a used LSS.

dormancy↗

DOE OSTI2018

A Tool for Planning Near-Term Waste Transfers at the Hanford Site - 18491

Washington River Protection Solutions, LLC is developing a software tool designed to simulate near-term waste affecting activities at the Hanford Site. The tool will allow for timely planning and evaluation of near-term operational activities, as well as facilitate feedback incorporation from the field to enable rapid iteration of various planning scenarios for a Multi-Year Operating Plan. Implementation of this tool in the Multi-Year Operating Plan planning process will support building a better connection between execution of daily activities and long-term mission objectives. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Common principles and best practices for engineering microbiomes

Despite broad scientific interest in harnessing the power of Earth’s microbiomes, knowledge gaps hinder their efficient use for addressing urgent societal and environmental challenges. We argue that structuring research and technology developments around a design–build–test–learn (DBTL) cycle will advance microbiome engineering and spur new discoveries of the basic scientific principles governing microbiome function. In this Review, we present key elements of an iterative DBTL cycle for microbiome engineering, focusing on generalizable approaches, including top-down and bottom-up design processes, synthetic and self-assembled construction methods, and emerging tools to analyse microbiome function. These approaches can be used to harness microbiomes for broad applications related to medicine, agriculture, energy and the environment. We also discuss key challenges and opportunities of each approach and synthesize them into best practice guidelines for engineering microbiomes. Here, we anticipate that adoption of a DBTL framework will rapidly advance microbiome-based biotechnologies aimed at improving human and animal health, agriculture and enabling the bioeconomy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2011

Molecular Mechanisms of Viral and Host Cell Substrate Recognition by Hepatitis C Virus NS3/4A Protease

Hepatitis C NS3/4A protease is a prime therapeutic target that is responsible for cleaving the viral polyprotein at junctions 3-4A, 4A4B, 4B5A, and 5A5B and two host cell adaptor proteins of the innate immune response, TRIF and MAVS. In this study, NS3/4A crystal structures of both host cell cleavage sites were determined and compared to the crystal structures of viral substrates. Two distinct protease conformations were observed and correlated with substrate specificity: (i) 3-4A, 4A4B, 5A5B, and MAVS, which are processed more efficiently by the protease, form extensive electrostatic networks when in complex with the protease, and (ii) TRIF and 4B5A, which contain polyproline motifs in their full-length sequences, do not form electrostatic networks in their crystal complexes. These findings provide mechanistic insights into NS3/4A substrate recognition, which may assist in a more rational approach to inhibitor design in the face of the rapid acquisition of resistance.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1991

Nonlinear optical polymers for electro-optic signal processing

Photonics is an emerging technology, slated for rapid growth in communications systems, sensors, imagers, and computers. Its growth is driven by the need for speed, reliability, and low cost. New nonlinear polymeric materials will be a key technology in the new wave of photonics devices. Electron-conjubated polymeric materials offer large electro-optic figures of merit, ease of processing into films and fibers, ruggedness, low cost, and a plethora of design options. Several new broad classes of second-order nonlinear optical polymers were developed at the Navy's Michelson Laboratory at China Lake, California. Polar alignment in thin film waveguides was achieved by electric-field poling and Langmuir-Blodgett processing. Our polymers have high softening temperatures and good aging properties. While most of the films can be photobleached with ultraviolet (UV) light, some have excellent stability in the 500-1600 nm range, and UV stability in the 290-310 nm range. The optical nonlinear response of these polymers is subpicosecond. Electro-optic switches, frequency doublers, light modulators, and optical data storage media are some of the device applications anticipated for these polymers.

Lindsay, Geoffrey A.↗

NASA NTRS2016

The Effect of Laser Scan Strategy on Distortion and Residual Stresses of Arches Made With Selective Laser Melting

The NASA Marshall Space Flight Center (MSFC) is developing Additive Manufacturing (AM) - both in-space AM for on-demand parts, tools, or structures, and on-earth AM for rapid, reduced-cost, small volume production of complex space-flight hardware. Selective Laser Melting (SLM) is an on-earth AM technology that MSFC is using to build Alloy 718 rocket engine components. An understanding of the SLM-718 material properties is required to design, build, and qualify these components for space flight. Residual stresses and are of particular interest for this AM process, since SLM is a series of approximately 100 micron-wide welds, where highly non-linear heating and cooling, severe thermal gradients and repeated thermal cycling can result in high residual stresses within the component. These stresses may cause degraded material properties, and warp or distort the geometry of the SLM component. The distortions can render the component out-of-tolerance when inspected, and even interrupt or halt the build process if the warped material prevents the SLM machine from operating properly. The component must be scrapped and re-designed, which is time consuming and costly. If residual stresses are better understood, and can be predicted, these effects can be mitigated early in the component's design. the compressive residual stresses in the z-direction were highest in the chess sample, followed by island then continuous. This may be due to the binding nature of the segments

Bagg, Stacey D.↗

NASA NTRS2019

Additive Manufacturing of Multi-Material Systems for Aerospace Applications

Additive manufacturing methods for producing single materials are rapidly improving. The resulting material properties and microstructures are becoming more comparable to those of conventionally fabricated materials. However, the need for multi-functional and complex structures and components requires additional innovations in manufacturing such as multi-material and hybrid additive manufacturing approaches. Additive manufacturing machines with multiple print capabilities and combinations of AM, machining, and conventional processing methods will further open up design spaces and possibilities. In this presentation, several examples of the needs and methods for multi-material fabrication will be discussed with a focus on aerospace applications. Direct printing of silver coils in conjunction with fused deposition modeling, machined parts, and, binder jetting is being developed for innovative stator designs. Binder jetting of silicon-based materials with powder bed additions is being developed for heat exchanger applications. Additive manufacturing of bi-material systems is being pursued to fabricate lightweight, integrated, multifunctional structures.

multi-materials↗

NASA NTRS1999

The Future of Electronic Device Design: Device and Process Simulation Find Intelligence on the World Wide Web

We are on the path to meet the major challenges ahead for TCAD (technology computer aided design). The emerging computational grid will ultimately solve the challenge of limited computational power. The Modular TCAD Framework will solve the TCAD software challenge once TCAD software developers realize that there is no other way to meet industry's needs. The modular TCAD framework (MTF) also provides the ideal platform for solving the TCAD model challenge by rapid implementation of models in a partial differential solver.

Biegel, Bryan A.↗

DOE OSTI2019

From Data to Models and Analytics: An Integrated Scientific Computing Platform to Accelerate Environmental Research SBIR Phase I (Final Technical Report)

Phase I research was conducted to investigate the technical feasibility of an integrated open source platform GeoLib to provide turnkey solutions for model-data integration for environmental systems science (ESS), using modern web technologies, advances in HPC and cloud computing and high-performance visualization. A key feature of our platform is that it minimizes and automates data movement between data storage and computing systems. Another critical feature of the design is that it enables users to perform high-fidelity post-processing by performing high-performance visualization server-side and in-situ on the compute cluster close to the data. The investigation, which was performed over a 12-month period ending April 2019, centered on developing prototype software to demonstrate the key enabling technologies required for this system. This included: (i) rapid access to data from multiple remote sources, via a unified data interface; (ii) software for scalable geospatial visualization of raster, vector, and point cloud data on the web; (iii) development of an easy-to-use API for creating simulation and modeling workflows; (iv) remote data visualization and processing on middle-tier servers; and (v) remote data processing on high-performance computing systems. A critical part of this work is that all of these capabilities be accessible to end users through standard desktop tools such as Project Jupyter, which is widely adopted for ESS simulation and modeling.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1980

Air quality model studies with application for southeastern Virginia

A single-cell photochemical air quality model incorporating (1) a published chemical mechanism, (2) advection, and (3) entrainment and emissions processes was constructed and compared with data from the EPA Regional Air Pollution Study. While agreement with measured CO and NO2 was established, O3 production was found to occur too rapidly and in excess. Calculated O3 levels improved when a 20% reduction in photolytic rate constants and a doubling of wind speed were applied. The results of the model sensitivity studies are being incorporated into the design and conduct of field measurement programs for the characterization of the vertical and horizontal homogeneity of an air quality region.

Brewer, D. A.↗

NASA NTRS1994

Inspection planning development: An evolutionary approach using reliability engineering as a tool

This paper proposes an evolutionary approach for inspection planning which introduces various reliability engineering tools into the process and assess system trade-offs among reliability, engineering requirement, manufacturing capability and inspection cost to establish an optimal inspection plan. The examples presented in the paper illustrate some advantages and benefits of the new approach. Through the analysis, reliability and engineering impacts due to manufacturing process capability and inspection uncertainty are clearly understood; the most cost effective and efficient inspection plan can be established and associated risks are well controlled; some inspection reductions and relaxations are well justified; and design feedbacks and changes may be initiated from the analysis conclusion to further enhance reliability and reduce cost. The approach is particularly promising as global competitions and customer quality improvement expectations are rapidly increasing.

Graf, David A.↗

NASA NTRS1995

A versatile system for processing geostationary satellite data with run-time visualization capability

To better predict global climate change, scientists are developing climate models that require interdisciplinary and collaborative efforts in their building. We are currently involved in several such projects but will briefly discuss activities in support of two such complementary projects: the Atmospheric Radiation Measurement (ARM) program of the Department of Energy and Sequoia 2000, a joint venture of the University of California, the private sector, and government agencies. Our contribution to the ARM program is to investigate the role of clouds on the top of the atmosphere and on surface radiance fields through the data analysis of surface and satellite observations and complex modeling of the interaction of radiation with clouds. One of our first ARM research activities involves the computation of the broadband shortwave surface irradiance from satellite observations. Geostationary satellite images centered over the first ARM observation site are received hourly over the Internet network and processed in real time to compute hourly and daily composite shortwave irradiance fields. The images and the results are transferred via a high-speed network to the Sequoia 2000 storage facility in Berkeley, where they are archived These satellite-derived results are compared with the surface observations to evaluate the accuracy of the satellite estimate and the spatial representation of the surface observations. In developing the software involved in calculating the surface shortwave irradiance, we have produced an environment whereby we can easily modify and monitor the data processing as required. Through the principles of modular programming, we have developed software that is easily modified as new algorithms for computation are developed or input data availability changes. In addition, the software was designed so that it could be run from an interactive, icon-driven, graphical interface, TCL-TK, developed by Sequoia 2000 participants. In this way, the data flow can be interactively assessed and altered as needed. In this environment, the intermediate data processing 'images' can be viewed, enabling the investigator to easily monitor the various data processing steps as they progress. Additionally, this environment allows the rapid testing of new processing modules and allows their effects to be visually compared with previous results.

Landsfeld, M.↗

NASA NTRS2003

Twinning, Epitaxy and Domain Switching in Ferroelastic Inclusion Compounds

Our research is in the area of solid-state organic chemistry, which lies at the interface between physical organic chemistry and materials science. We use crystalline solids as models to probe fundamental issues about physical processes, molecular interactions and chemical reactions that are important for fabrication, stabilization and application of technological materials. Much of our most recent work has focused on the phenomena of ferroelastic and ferroelectric domain switching, in which application of an external force or electric field to a crystal causes the molecules inside the crystal to reorient, in tandem, to a new orientational state. To better understand and control the domain switching process, we have designed and synthesized over twenty closely related, ferroelastic organic crystals. Our approach has been to use crystalline inclusion compounds, in which one molecule (the guest) is trapped within the crystalline framework of a second molecule (the host). By keeping the host constant and varying the proportions and kinds of guests, it has been possible to tailor these materials so that domain switching is rapid and reversible (which is desirable for high technology applications). Inclusion compounds therefore serve as powerful systems for understanding the specific molecular mechanisms that control domain switching.

Hollingsworth, Mark D.↗

DOE OSTI2012

Experience in Remote Demolition of the Activated Biological Shielding of the Multi Purpose Research Reactor (MZFR) on the German Karlsruhe Site - 12208

In 2009, WAK Decommissioning and Waste Management GmbH (WAK) became owner and operator of the waste treatment facilities of Karlsruhe Institute of Technology (KIT) as well as of the prototype reactors, the Compact Sodium-Cooled Fast Reactor (KNK) and Multi-Purpose Reactor (MZFR), both being in an advanced stage of dismantling. Together with the dismantling and decontamination activities of the former WAK reprocessing facility since 1990, the envisaged demolishing of the R and D reactor FR2 and a hot cell facility, all governmentally funded nuclear decommissioning projects on the Karlsruhe site are concentrated under the WAK management. The small space typical of prototype research reactors represented a challenge also during the last phase of activated dismantling, dismantling of the activated biological shield of the MZFR. Successful demolition of the biological shield required detailed planning and extensive testing in the years before. In view of the limited space and the ambient dose rate that was too high for manual work, it was required to find a tool carrier system to take up and control various demolition and dismantling tools in a remote manner. The strategy formulated in the concept of dismantling the biological shield by means of a modified electro-hydraulic demolition excavator in an adaptable working scaffolding turned out to be feasible. The following boundary conditions were essential: - Remote exchange of the dismantling and removal tools in smallest space. - Positioning of various supply facilities on the working platform. - Avoiding of interfering edges. - Optimization of mass flow (removal of the dismantled mass from the working area). - Maintenance in the surroundings of the dismantling area (in the controlled area). - Testing and qualification of the facilities and training of the staff. Both the dismantling technique chosen and the proceeding selected proved to be successful. Using various designs of universal cutters developed on the basis of wall saws, both the activated steel liner and the inner reinforcing layer were cut remotely in one process. This allowed for the efficient execution of the following remote concrete removal steps using mining techniques. The electro-hydraulic demolition excavator that was purchased and then modified turned out to be an ideal tool carrier system with rapid-exchange coupling. Due to the high availability, no major delays occurred. This also was a result of the consistently implemented maintenance and repair concept. With the excavator installed in a modifiable scaffolding suspended from a rotating carrier ring, all dismantling areas could be reached and treated in spite of the small space. Thanks to an optimum organization of work-flows, routine change of dismantling work, and maintenance or repair, the iterative radiological measurement campaigns could be integrated in the whole activity without the dismantling work being disturbed significantly. The ventilation system with pressure grading and pre-filtration units ensured a low contamination level in the dismantling area. It was also possible to manage the dust formed by the milling of concrete surfaces. As it was possible to further cut metal parts and crushed concrete later on, residue flows were optimized. The planned overall period for testing, dismantling the bio-shield and removing the equipment was 36 months. The final duration was 39 months. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Resilient Observer Design for Cyber-Physical Systems with Data-Driven Measurement Pruning

Resilient observer design for Cyber-Physical Systems (CPS) in the presence of adversarial false data injection attacks (FDIA) is an active area of research. The existing state-of-the-art algorithms tend to break down as more and more knowledge of the system is built into the attack model; also as the percentage of attacked nodes increases. From the view of optimization theory, the problem is often cast as a classical error correction problem for which a theoretical limit of has been established as the maximum percentage attacked nodes for which state recovery is guaranteed. Beyond this limit, the performance of -minimization based schemes, for instance, deteriorates rapidly. Similar performance degradation occurs for other types of resilient observers beyond certain percentages of attacked nodes. In order to increase the corresponding percentage of attacked nodes for which state recoveries can be guaranteed, researchers have begun to incorporate prior information into the underlying resilient observer design framework. For the most pragmatic cases, this prior information is often obtained through a data-driven machine learning process. Existing results have shown a strong positive correlation between the maximum attacked percentages that can be tolerated and the accuracy of the data-driven model. Motivated by these results, this chapter examines the case for pruning algorithms designed to improve the Positive Prediction Value (PPV) of the resulting prior information, given stochastic uncertainty characteristics of the underlying machine learning model. Theoretical quantification of the achievable improvement is given. Simulation results show that the pruning algorithm significantly increases the maximum correctable percentage of attacked nodes, even for machine learning model whose prediction power is comparable to the random flip of a coin.

Resilient Observer, Cyber-physical Systems, Data-D↗