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DOE OSTI2023

Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and Nanotubes

Peptoids (N-substituted glycines) are a group of highly controllable peptidomimetic polymers. Amphiphilic diblock peptoids have been engineered to assemble crystalline nanospheres, nanofibrils, nanosheets, and nanotubes with biochemical, biomedical, and bioengineering applications. The mechanical properties of peptoid nanoaggregates and their relationship to the emergent self-assembled morphologies have been relatively unexplored and are critical for the rational design of peptoid nanomaterials. In this work, we consider a family of amphiphilic diblock peptoids consisting of a prototypical tube-former (Nbrpm6Nc6, a NH 2 -capped hydrophobic block of six N-((4-bromophenyl)methyl)glycine residues conjugated to a polar NH 3 (CH 2 ) 5 CO tail), a prototypical sheet-former (Nbrpe6Nc6, where the hydrophobic block comprises six N-((4-bromophenyl)ethyl)glycine residues), and an intermediate sequence that forms mixed structures ((NbrpeNbrpm)3Nc6). We combine all-atom molecular dynamics simulations and atomic force microscopy to determine the mechanical properties of the self-assembled 2D crystalline nanosheets and relate these properties to the observed self-assembled morphologies. We find good agreement between our computational predictions and experimental measurements of Young’s modulus of crystalline nanosheets. A computational analysis of the bending modulus along the two axes of the planar crystalline nanosheets reveals bending to be more favorable along the axis in which the peptoids stack by interdigitation of the side chains compared to that in which they form columnar crystals with π-stacked side chains. Here, we construct molecular models of nanotubes of the Nbrpm6Nc6 tube-forming peptoid and predict a stability optimum in good agreement with experimental measurements. A theoretical model of nanotube stability suggests that this optimum is a free energy minimum corresponding to a “Goldilocks” tube radius at which capillary wave fluctuations in the tube wall are minimized.

36 MATERIALS SCIENCE↗

DOE OSTI2015

SBOL Visual: A Graphical Language for Genetic Designs

Synthetic Biology Open Language (SBOL) Visual is a graphical standard for genetic engineering. We report that it consists of symbols representing DNA subsequences, including regulatory elements and DNA assembly features. These symbols can be used to draw illustrations for communication and instruction, and as image assets for computer-aided design. SBOL Visual is a community standard, freely available for personal, academic, and commercial use (Creative Commons CC0 license). We provide prototypical symbol images that have been used in scientific publications and software tools. We encourage users to use and modify them freely, and to join the SBOL Visual community: http://www.sbolstandard.org/visual.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Vehicle Lightweighting: 40% and 45% Weight Savings Analysis: Technical Cost Modeling for Vehicle Lightweighting

The U.S. Department of Energy’s Vehicle Technologies Office, Materials area commissioned a study to model and assess manufacturing economics of alternative design and production strategies for a series of lightweight vehicle concepts. The strategic targets were a 40% and a 45% mass reduction relative to a standard North American midsize passenger sedan at an effective cost of $3.42 per pound (lb) saved. The baseline vehicle was an average of several available vehicles in this class. Mass and cost breakdowns from several sources were used, including original equipment manufacturers’ (OEMs’) input through U.S. Department of Energy’s Vehicle Technologies Office programs and public presentations, A2Mac1 LLC’s teardown information, Lotus Engineering Limited and FEV, Inc. breakdowns in their respective lightweighting studies, and IBIS Associates, Inc.’s decades of experience in automotive lightweighting and materials substitution analyses. Information on lightweighting strategies in this analysis came from these same sources and the ongoing U.S. Department of Energy-funded Vehma International of America, Inc. /Ford Motor Company Multi-Material Lightweight Prototype Vehicle Demonstration Project, the Aluminum Association Transportation Group, and many United States Council for Automotive Research’s/United States Automotive Materials Partnership LLC lightweight materials programs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Recyclable Design for Retaining High Solar Absorptivity of the Media in CSP

Efficient thermal energy storage is pivotal to lowering the levelized cost of electricity (LCOE) for Concentrating Solar Power (CSP) plants. In solid-particle systems, however, prolonged high-temperature service degrades particle solar absorptivity, eroding overall efficiency. This project demonstrates a hydrogen-assisted recovery process that reliably restores absorptivity to >90 %, offering a practical route to sustain long-term CSP performance. Bench-scale investigations mapped the reduction kinetics of optically faded particles across hydrogen concentrations, temperatures, and residence times. Coupling mass-spectrometric monitoring with machine-learning optimization minimized energy demand while maximizing absorptivity gain. The resulting process window—moderate hydrogen partial pressures, 15–30 min dwell times, and temperatures well below initial calcination levels—cuts energy consumption well below that of incumbent re-blackening methods. A prototype recovery reactor processed multiple 2 kg batches with repeatable outcomes, confirming scalability and operational robustness. Integrated techno-economic analysis indicates material and operating cost reductions exceeding 15 % relative to conventional particle replacement or chemical re-coating, translating directly into lower LCOE for next-generation CSP facilities. By uniting fundamental reaction-kinetics insight with pragmatic engineering, this work advances the solid-particle pathway, delivering a cost-effective, field-deployable solution to one of CSP’s key durability challenges and strengthening the commercial outlook for high-temperature renewable power.

14 SOLAR ENERGY↗

DOE OSTI2020

Building an International Flagship Neutrino Experiment

An international team of over 1,000 scientists and engineers from more than 30 countries is building the most advanced neutrino experiment in the world, which could change our understanding of the universe. Groundbreaking for this revolutionary endeavor—hosted by the U.S. Department of Energy’s Fermilab with contributions from across the U.S. and around the globe—took place in July of 2017. The first of two large prototype detectors started recording data in Sept. 2018.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Alternative High-Performance Motors with Non-Rare Earth Materials, Final Publishable Report

Electric drive systems, which include electric machines and power electronics, are a key enabling technology for advanced vehicle propulsion systems that reduce the petroleum dependence of the transportation sector. To have significant effect, electric drive technologies must be economical in terms of cost, weight, and size while meeting performance and reliability expectations. The goal of the project is to develop traction motors that reduce or eliminate the use of rare-earth materials and meet the DoE specifications for such a traction motor. This is accomplished by evaluating and developing multiple motor topologies in conjunction with advanced materials. Eight non-permanent magnet motor topologies and two reduced or non-rare earth motor topologies are analyzed and compared using a common set of requirements. Five of the motors are built and tested to validate the analysis. This paper provides a detailed quantitative comparison of the different machine topologies that reduce or eliminate rare-earth materials. Conclusions are drawn from the analysis and test data to show the tradeoffs related to selecting each of the motor topologies with the hope of providing practicing engineers and researchers in the field enough guidelines for choosing the “optimum” machine topology that suits their applications and set of performance requirements. Four materials technologies were investigated for their ability to enable a reduced rare earth electric motor. Two of the technologies were soft magnetic materials, one was a non-rare-earth containing permanent magnet technology, and the last was an insulation material. These processing and performance of these materials were first demonstrated in small coupons. The coupon tests justified proceeding to larger scale processing for two of the materials technologies: 1) a dual-phase soft magnetic material for use in rotor laminates and 2) a high temperature insulation material for use as a slot liner in the stator. The dual phase soft magnetic material was produced at a scale sufficient to build and test a sub-scale motor prototype. The high temperature insulation material was first evaluated in a series of “statorettes” before being demonstrated in the stator of one of the full-scale motor prototypes. Testing of the dual phase material revealed issues with process variability in larger production volumes that are being addressed in a subsequent project. The performance of the high-temperature slot liner insulation was demonstrated during the operation of a full-scale prototype. Furthermore, the insulation material was shown to survive aging tests of 2000 hours and 280 °C and 800 hours at 300 °C. This program provides analysis and data to accelerate the introduction of hybrid electric vehicles into the U.S. road vehicle fleet and bring the added benefits of reduced fuel consumption and environmental impacts

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2014

Design approach for the development of a cryomodule for compact crab cavities for Hi-Lumi LHC

A prototype Superconducting RF (SRF) cryomodule, comprising multiple compact crab cavities is foreseen to realise a local crab crossing scheme for the “Hi-Lumi LHC”, a project launched by CERN to increase the luminosity performance of LHC. A cryomodule with two cavities will be initially installed and tested on the SPS drive accelerator at CERN to evaluate performance with high-intensity proton beams. A series of boundary conditions influence the design of the cryomodule prototype, arising from; the complexity of the cavity design, the requirement for multiple RF couplers, the close proximity to the second LHC beam pipe and the tight space constraints in the SPS and LHC tunnels. As a result, the design of the helium vessel and the cryomodule has become extremely challenging. This paper assesses some of the critical cryogenic and engineering design requirements and describes an optimised cryomodule solution for the evaluation tests on SPS.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Optimization of Adjustable Drivetrain Assistance Mechanisms for Efficient Robotic Bipeds

Legged robots promise radical mobility for challenging environments, but must be made more energy efficient to be practical. Historically, legged robot design has required efficiency to be traded against versatility. Much energy is lost in actuators and transmissions because few actuation systems are capable of operating efficiently across the wide range of operating conditions (e.g. different joint speeds and torques) required for legged locomotion. We describe a drivetrain topology that overcomes many of these limitations. Our approach combines high-torque electromagnetic motors and low-loss transmissions with a tailored and adjustable set of joint-specific passive mechanisms called support elements, which modulate the energy flow between motors and joints to minimize the electrical energy consumed. We present an optimization-based design method that draws on available bipedal gait data to select optimal support element configurations and parameters. Simple adjustments may be made to support elements at certain joints to enable a wide variety of locomotion with high efficiency. We present results, specific to the 3D humanoid bipedal STEPPR robot, in which support elements are co-optimized across a library of several gaits, converging on a set of designs that predict an average reduction of electrical energy of more than 50% across a set of 15 gaits, with energy savings reaching as much as 85% for some gaits. Concepts were prototyped and tested on a bench testbed, validating the predicted energy savings. Support elements were implemented on STEPPR, and energy savings of more than 35% were demonstrated.

42 ENGINEERING↗

DOE OSTI2016

Thermal-hydraulic performance of the TREAT Multi-SERTTA for reactivity initiated accident experiments

Experimental testing in the Multi-Static Environment Rodlet Transient Test Apparatus (SERTTA) will lead the rebirth of transient fuel testing in the United States as part of the Accident Tolerant Fuels (ATF) program. The Multi-SERTTA is comprised of 4 isolated pressurized environments capable of a wide variety of working fluids and thermal conditions. Ultimately, the TREAT reactor as well as the Multi-SERTTA test vehicle serve the purpose of providing desired thermal-hydraulic boundary conditions to the test specimen. The initial ATF testing in TREAT will focus on reactivity insertion accident (RIA) events using both gas and water environments including typical PWR operating pressures and temperatures. The heat transfer conditions during the high energy power pulses of RIA events remains a subject of large uncertainty and great importance for fuel performance predictions. To support transient experiments, the Multi-SERTTA vehicle has been modeled using RELAP5 with a baseline test specimen composed of fresh UO{sub 2} fuel in zircaloy cladding. The results show that for energy depositions less than 1380 J/g-UO{sub 2}, the vessel environment remains sub-supercritical. Two extremes of gap conductance show significant effect on event timing and peak cladding temperature but little effect on end state conditions. Inclusion of oxidation has increasing impact for increasing energy depositions. The effect of oxidation is non-negligible for planned TREAT experiments in the range of explored energy depositions. Pulse width has little impact on thermal hydraulic conditions under the assumptions used in this analysis. The model used in this work has been coupled to the fuel performance code, BISON, to accomplish best estimate predictive capability for Multi-SERTTA experiments. The results show the great flexibility and capacity of the TREAT Multi-SERTTA test vehicle to provide testing under a wide range of prototypic thermal-hydraulic conditions as never done before.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

ECAR-5633 AGR-5/6/7 Daily As-Run Thermal Analyses

The purpose of this engineering and calculations report is to document the results of the thermal analyses performed to calculate the Advanced Gas-Cooled Reactor (AGR)-5/6/7 as-run daily temperatures of the fuel compacts. Temperature data provided by this report will be used to evaluate fuel performance. The AGR-5/6 portion of the experiment was for fuel qualification at prototypic temperatures, while the AGR-7 portion of the experiment was a margin test at very high temperatures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2013

The Full Scale Seal Experiment - A Seal Industrial Prototype for Cigeo - 13106

The Full Scale Seal (FSS) Experiment is one of various experiments implemented by Andra, within the frame of the Cigeo (the French Deep Geological Repository) Project development, to demonstrate the technical construction feasibility and performance of seals to be constructed, at time of Repository components (shafts, ramps, drifts, disposal vaults) progressive closure. FSS is built inside a drift model fabricated on surface for the purpose. Prior to the scale 1:1 seal construction test, various design tasks are scheduled. They include the engineering work on the drift model to make it fit with the experimental needs, on the various work sequences anticipated for the swelling clay core emplacement and the concrete containment plugs construction, on the specialized handling tools (and installation equipment) manufactured and delivered for the purpose, and of course on the various swelling clay materials and low pH (below 11) concrete formulations developed for the application. The engineering of the 'seal-as-built' commissioning means (tools and methodology) must also be dealt with. The FSS construction experiment is a technological demonstrator, thus it is not focused on the phenomenological survey (and by consequence, on the performance and behaviour forecast). As such, no hydration (forced or natural) is planned. However, the FSS implementation (in particular via the construction and commissioning activities carried out) is a key milestone in view of comforting phenomenological extrapolation in time and scale. The FSS experiment also allows for qualifying the commissioning methods of a real sealing system in the Repository, as built, at time of industrial operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Self-Lubricating Bushing Testing for John Day Dam Ka plan Turbine Replacement

The goal of this testing program is to find suitable self-lubricated alternatives to replace the in use oil lubricated grooved-bronze bushing in Kaplan runner hubs that are currently being utilized at John Day Dam operated by the U.S. Army Corps of Engineers (USACE). Scaled bushing testing utilizing a Pacific Northwest National Laboratory designed, fabricated, and operated Bushing Test Stand under the direction and funding from USACE determined that self-lubricated bushings tested appear capable of outperforming the current oil-lubricated bronze bushings. Performance tests are focused on durability which includes cyclic load bearing properties and articulations under various loading scenarios. This testing was performed at nominally 1/5 th scale. A scaling sensitivity analysis determined that scaled testing results apply to prototypic size. This report shows the direct comparison between the current baseline bronze bushing to self-lubricated bushings from various manufacturers. Bushing data like coefficient of friction and bushing material loss (associated with bushing wear) was determined. Self-lubricated bushings tested include products manufactured specifically for hydropower applications by the following companies: Trelleborg, Kamatics, Anonymous, and Tenneco/Deva.

42 ENGINEERING↗

DOE OSTI2020

KRUSTY Reactor Design

The Kilowatt Reactor Using Stirling TechnologY (KRUSTY) was a reactor design, development, and test program to demonstrate the nuclear operation of a Kilopower reactor. Kilopower systems are intended to provide between 1 and 10 kW(electric) in space, or on the surface of planets or moons, with a clear evolution to substantially higher power systems. KRUSTY was a prototype of a 1-kW(electric) highly enriched uranium–fueled Kilopower system. In March of 2018, KRUSTY successfully operated as a fission power system and was the first nuclear-powered operation of any truly new reactor concept in the United States in over 40 years. This paper discusses the design of the KRUSTY reactor along with the philosophy, goals, and engineering work that ultimately led to KRUSTY’s success.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Safeguards by Design Challenge (Final Report- FY19)

This University Engagement project challenged engineering students at universities, without nuclear engineering degrees but with research reactors, to incorporate Safeguards by Design concepts into their Senior Capstone Design Project. This University Engagement project was part of the U. S. Department of Energy’s (DOE) National Nuclear Security Administration (NNSA), Office of Defense Nuclear Nonproliferation, Office of International Nuclear Safeguards, Next Generation Safeguards Initiative, Human Capital Development: University Engagement Program. This program exposed university students with Mechanical Engineering major and Nuclear Engineering minors to the concepts of international nuclear safeguards. FY19, three teams at the University of Rhode Island and one team at the University of Texas - Austin participated in researching, designing, building, and testing projects to support international nuclear safeguards measurements or verification. The projects involved engaging in activities at the university’s research reactors. All the projects engaged students with prototyping a design and/or tool for application at the Universities’ Research Reactor. At the end of the course, most of the students expressed the experience was a positive and they learned more about international nuclear safeguards and applying requirements than they had previously encountered.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2018

Delivering Business Benefit to UK Decommissioning through Collaborative Innovation - Approach and Technologies - 18539

The UK's nuclear energy programme, dating from the post-war years, has left a mixed legacy to the country: numerous prototype reactors, fuel-manufacturing plants, research centres, reprocessing plants and 11 power stations. The Sellafield site in west Cumbria houses more than 200 nuclear facilities and 1,000 buildings, making it one of the world's most complex environmental decommissioning challenges. Many 'never-done-before' projects are under way, which require substantial levels of R and D and innovative engineering approaches. One of the Nuclear Decommissioning Authority's (NDA) responsibilities is to ensure that the right level of R and D is carried out to enable progress on delivering the full decommissioning programme. Since 2010, NDA has been collaborating with Innovate UK, the UK government's innovation agency, to engage the supply chain and develop innovative technologies and services to support the NDA's mission and the growing international nuclear decommissioning market. The paper will provide an overview of the approach (e.g. open calls, briefing events, independent assessment, technology showcases) and the associated benefits (e.g. attracting new ideas, end-user engagement, increased supply chain collaboration). The paper also highlights selected technologies developed through the process. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

A Coil Detection System for Dynamic Wireless Charging of Electric Vehicle

Application of wireless power transfer while EV is in motion can significantly reduce the battery storage capacity. A major challenge in implementation of dynamic wireless power transfer (DWPT) is automatic detection of EV to avoid loss in efficiency and alleviate any safety concerns. This paper proposes a novel coil detection method for segmented DWPT. Detection of the EV ahead of its arrival will initiate energizing of the transmitter buried inside the road to enable just-in-time transfer of power. At low speeds, communication can be a reliable method to power up the transmitter coil. However, at high speeds on highways, communication latency time for the detection of an EV is long and hence impractical. This paper proposes a low cost and low power EV detection system based on a novel orthogonal coil arrangement to detect EVs traveling at high speeds. Here, the proposed detection system was tested on a laboratory scale prototype for verification purpose. For high speed verification, simulation in PLECS was conducted to test the functionality of the proposed system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2015

Prototype Systems for Measuring Outdoor Air Intake Rates in Rooftop Air Handlers

The widespread absence of systems for real-time measurement and feedback control, of minimum outdoor air intake rates in HVAC systems contributes to the poor control of ventilation rates in commercial buildings. Ventilation rates affect building energy consumption and influence occupant health. The project designed fabricated and tested four prototypes of systems for measuring rates of outdoor air intake into roof top air handlers. All prototypes met the ±20% accuracy target at low wind speeds, with all prototypes accurate within approximately ±10% after application of calibration equations. One prototype met the accuracy target without a calibration. With two of four prototype measurement systems, there was no evidence that wind speed or direction affected accuracy; however, winds speeds were generally below usually 3.5 m s -1 (12.6 km h -1 ) and further testing is desirable. The airflow resistance of the prototypes was generally less than 35 Pa at maximum RTU air flow rates. A pressure drop of this magnitude will increase fan energy consumption by approximately 4%. The project did not have resources necessary to estimate costs of mass produced systems. The retail cost of components and materials used to construct prototypes ranged from approximately $1,200 to $1,700. The test data indicate that the basic designs developed in this project, particularly the designs of two of the prototypes, have considerable merit. Further design refinement, testing, and cost analysis would be necessary to fully assess commercial potential. The designs and test results will be communicated to the HVAC manufacturing community.

42 ENGINEERING↗

DOE OSTI2022

Integration of Electric Power Infrastructure into the Drinking Water Shared Risk Framework: Prototype Development

An existing shared risk framework designed for assessing and comparing threat-based risks to water utilities is being extended to incorporate electric power. An important differentiating characteristic of this framework is the use of a system-centric rather than an asset-centric approach. This approach allows anonymous sharing of results and enables comparison of assessments across different utilities within an infrastructure sector. By allowing utility owners to compare their assessments with others, they can improve their self-assessments and identification of "unknown unknowns". This document provides an approach for extension of the framework to electric power, including treatment of dependencies and interdependencies. The systems, threats, and mathematical description of associated risks used in a prototype framework are provided. The method is extensible so that additional infrastructure sectors can be incorporated. Preliminary results for a proof of concept calculation are provided.

42 ENGINEERING↗