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DOE OSTI2026

Development Fiber Optic Distributed System for Direct Detection of Subsurface Gases Leakages

Carbon, natural gas, and hydrogen gas storage is an emerging solution to safeguard us against pollution, support goals of negative carbon emission, and protect sources of renewable energy. Properly constructed storage wells provide a virtually impervious barrier to any unintended subsurface transmission. The ability to ensure the long-term integrity of such wells is vital to the success of any storage operation and be successful in the public eyes. Therefore, robust monitoring of any gas migration into the subsurface is highly sought. A fiber-optic distributed chemical sensor (DCS) enables monitoring of long-term well integrity along its depth, ensuring the success of any storage operation and bolsters public acceptance of the safety of the reservoir via leak early detection. The same technique can be applied to gas monitoring in pipeline networks and nuclear stockpile monitoring applications. Fiber based Raman spectroscopy enables DCS, as optical fibers can be deployed in virtually any environment and relay spectroscopic information over long distances back to the user. Hollow core fibers (HCF) make excellent DCSs as the air core of the fiber allows gas from the environment to diffuse into the core, which interacts with the laser signal that is carried in the air core. This work builds upon the previous LDRD project, Fiber Optic System for Direct Detection of Carbon Dioxide Leakage in Carbon Storage Wells (21-FS-003), in which the feasibility of Raman spectroscopy detection of Carbon Dioxide (CO2) in HCF detection was demonstrated. We mitigated the risk of this DCS technology by establishing and completing five objectives. The first objective was to model and optically characterize HCF uptake of CO2, establishing the relationship between HCF length, gas diffusion time, detectable gas concentration, and measured Raman intensity. In objective two, we developed a fiber core drilling recipe to enable additional diffusion ports in the fiber core and established a method for maintaining fiber strength and integrity post drilling. Objective three characterized the drilled fibers against the undrilled fibers, establishing the differences in the gas mechanics and optical properties and provided parameters to iterate the drilling process. In objective four, a fusion splicing technique was developed to join the HCF to conventional single-mode fibers, localizing the gas detection point at the drilled HCF hole, emulating a DCS. Lastly, objective five was the testing of the sensor in Edgar Mines at Colorado School of Mines on a CO2 pipeline with a simulated leak, to showcase the ability to detect CO2 leaks. This capstone result showed CO2 leak detection in < 10 minutes, raising the technology readiness level of HCF segments as deployable DCS.

organic↗

DOE OSTI2026

Proliferated Resilient Economical Half-Meter Aperture Space Telescopes (PREEMPT)

The PREEMPT LDRD was motivated by a major national need for better space-based imaging systems that are both high performing and affordable for the US Government. Current optical payloads for intelligence, surveillance and reconnaissance (ISR) and space domain awareness (SDA) missions can cost hundreds of millions of dollars and take years to develop, which makes it difficult to build the large constellations required for persistent, world-wide coverage. To address this, the team aimed to advance a different kind of large-aperture (>25 cm) telescope, called a monolithic telescope, in which key optical surfaces are built into a single piece of fused silica. This design greatly reduces payload and spacecraft complexity, the need for precision focus actuators, improves mechanical and thermal robustness, and lowers cost when compared with traditional Cassegrain telescopes that rely on many precisely aligned components. The project focused on five primary thrusts. The first thrust was to advance the concept of a V10, 25 cm, monolithic telescope forward from optical design to flight-ready stage. This was accomplished in partnership with Optimax, who delivered the first test unit in the early stages of the LDRD. The team developed several technologies necessary for this optic to be integrated into a flight demonstration. These include carbon fiber housings, highly detailed structural and thermal models and stress-reducing elastic averaging Hirth groove designs. These technologies resulted in a successful maturation of the optic, which is now slated to fly in late 2026/early 2027 for a demonstration mission. The second thrust was to advance the manufacturability of these optics. In collaboration with NIF’s optical manufacturing shop, we reduced polishing time from 480 hours to 65 hours through the implementation of optimized processes and new tools. The NIF team utilized a conceptual V8 (18 cm) optic to demonstrate this optimization, though it can be applied to the rest of the monolithic optic portfolio. Third, the team developed the first conceptual V20 (50 cm) payload, which is slated to be the next generation of LLNL optical payload systems. A set of structural, dynamic and thermal simulations were performed to identify potential challenges in the future development of this payload. Early-stage simulations suggest the payload is feasible, though thermal management will be the key focus area to maintain optimal performance. Fourth, a non-linear model of Viton was developed, to further enhance the reliability of our structural and dynamic models for future payloads. Viton acts as the primary interface material between the optic and its housing. Lastly, the team focused on successfully displaying the feasibility of using additively manufactured metal composites for optical space payloads. The team successfully demonstrated layer by layer deposition of Al-SiC composites, which have highly tunable structural and coefficient of thermal expansion (CTE) properties. These are crucial for optical payloads because CTE mismatch is one of the causes for degraded optical performance for telescopes in orbit. Overall, the work showed that monolithic telescopes could become a practical, lower-cost path to high-resolution space imaging for both national security and scientific missions.

42 ENGINEERING↗

DOE OSTI2022

Impedance Modeling for Mixed Conductors with Simultaneous Insertion & Electrocatalytic Reactions: A Case Study of Transition-Metal Hydroxides in Aqueous Electrolyte

Electrochemical impedance spectroscopy (EIS) is commonly used to investigate the kinetics of mixed ionic–electronic conductor (MIEC) electrodes. Across various applications, MIECs exhibit ionic (e.g., insertion) and/or electronic (e.g., electrocatalytic) charge transfer reactions at the electrode/electrolyte interface. Bulk storage and transport of charge carriers also couple with these interfacial reactions. Here, we build a generalized, physics-based impedance model for MIECs with an ion-blocking current collector and explore how bulk and interfacial resistance, chemical capacitance, and DC polarization affect the impedance response. Using transition metal hydroxides as a case study, we provide guidance on extracting reaction kinetics or bulk resistance from the Nyquist plots in interface- or bulk-controlled conditions, respectively. Generalizing our EIS analysis enables a robust analysis of MIEC kinetics for a diverse set of systems.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Model-Free Building Temperature Control and Power Allocation Under Measurement Time Delays

Taking a step towards a greener planet has created an increased need for a higher integration of renewable energy resources into the electric grid. Nonetheless, the intermittency and uncertainty associated with renewable generation have slowed down this integration. Demand response (DR) has been recently adopted to address this challenge by utilizing demand side flexibility and enabling the participation of many grid-interactive efficient buildings (GEBs). However, existing DR methods require significant modeling and/or training efforts and are computationally expensive. To address the aforementioned issues, we propose a model-free control (MFC)-based strategy that is robust to the time delays in the temperature measurements of the thermostatically controlled loads (TCLs). It assigns to each GEB a local controller to maintain the TCLs’ temperatures within desired comfort levels, while the load aggregator (LA) allocates the assigned reference power provided by the distribution system operator (DSO) to support a specific grid service, such as demand peak reduction, load shifting, balancing supply and demand, and consuming the solar photovoltaic power locally. We investigate the effects of such loss of information on the local control action as well as on meeting the power allocation constraint. We conclude that, for an appropriate choice of design parameters, the proposed MFC controller is satisfactorily robust to measurement time delays.

Telsang, Bhagyashri↗

DOE OSTI2022

Develop Direct 3D Building as a Transformational 3D Printing

Phase 1 of this project recognizes the key advantages of direct 3D building (3DB) by literature research, initial experiments, and analyses. The fundamental enhancement in powder density, layer thickness, and their uniformities are attributed to the independence from high blade speed and powder flowability. The increase in layer quality, before selective fusion, is found qualitatively significant for a step change in process robustness when the unrepeatability of 3D printing (3DP) remains a challenge in serial volume production. The reduced challenge of powder flowability should not only entail improvement in build quality but also reduce powder cost from the strict morphology and size specs. The concurrent selective fusion and powder surface preparation eliminate the need for frequent recoating pauses to increase build speed. On-going experiments include density cup measurements by X-ray scanning and recoating performance evaluation by a rotating disk system to verify some of the results.

42 ENGINEERING↗

DOE OSTI2023

Imaging the electronic and magnetic structure of topological-superconductor proximity systems (Final Report)

The primary goals of the projects supported by this grant involved developing methods to detect and control electronic states that can aid in the construction of quantum-information devices, including quantum computers. Two types of materials are needed to create these electronic states: superconductors and topological insulators. The interplay of the quantum mechanics of these materials can give rise to elusive states known as Majorana fermions. Majorana Fermions have incredible potential for quantum technology; they can in principle encode quantum information non-locally, and can thus form the basis of especially robust qubits – the basic building blocks of quantum computers. A centerpiece goal of this work was to develop a Majorana detection tool called a Scanning Majorana Microscope. This tool was successfully developed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2021

Verifying Mars 2020 Sampling and Caching Robotic Functions with Position Budgeting Process and Tool

The Mars 2020 Perseverance Rover was launched on July 30th, 2020 with one of the most complex robotic systems ever implemented on an interplanetary mission. Much of this robotic complexity resides in the Rover Sampling and Caching Subsystem (SCS) to enable collection of Martian samples for eventual return to earth and preparation of surfaces for close-up surface science observations. Two robotic arms are used by SCS: the large Robotic Arm (RA) positions the coring drill and science instruments mounted to the Turret for surface interactions, and the smaller Sample Handling Assembly (SHA) manipulates Sample Tube Assemblies (STA) within the Adaptive Caching Assembly (ACA) to prepare them for sample collection, processing, and hermetic sealing. The robotic arms interact with the Martian surface and other SCS components in many ways and in a variety of configurations, with positioning accuracy requirements ranging from tens of millimeters for some surface interactions down to sub-millimeter accuracy for some ACA interactions.This paper describes the process and tool used to calculate the SCS robotic interaction positioning budgets and verify the as-built hardware when delivered. To ensure that these robotic systems are able to perform their tasks, each robotic interaction with another element was broken down into its composite functions. To calculate a positioning budget margin for each function, an allowable was defined and then compared to the list of error sources that contribute to misalignment. Across the subsystem, over 250 functions were identified to be assessed, with almost 500 error sources feeding into their budget calculations. In addition to using as-built values in the budgets for SCS Verification and Validation (V&V) after the hardware was complete, these budgets were populated with design data during the design phase to identify areas of concern and guide hardware design to ensure positive position budget margins.Because of the size of the SCS team that had inputs to the positioning budgets and the sheer number of items in the budgets that needed to be created, updated, and verified, having a tool that would allow for simultaneous access and robust data integrity and processing was imperative. To accomplish this, a web-based MySQL database was created that allowed users to create function position budgets, link individual errors and allowables to them, and view function position budget margin reports. Each error and allowable records data for lateral, normal, angular, and clocking errors, with the ability to add as-built data for up to four different hardware builds. Margin reports can be generated for either design values alone or replacing design data with as-built data when available. These as-built reports are used for final verification of the SCS positioning requirements. Ultimately, the SCS positioning budget process and database tool led to successful interactions during test and an SCS robotic system that is ready to perform sample acquisition and caching on the surface of Mars.

Williams, Jeffrey↗

DOE OSTI2025

Surrogate-constructed scalable-circuits adaptive variational quantum eigensolver in the Schwinger model

Inspired by recent advancements in simulating periodic systems on quantum computers, we develop an approach to further advance the simulation of these systems, named (SC) 2 -ADAPT-VQE. Our approach extends the scalable-circuits ADAPT-VQE framework, which builds an ansatz from a pool of coordinate-invariant operators defined for arbitrarily large, though not arbitrarily small, volumes. Our method uses a classically tractable “surrogate constructed” method to remove irrelevant operators from the pool, reducing the minimum size for which the scalable circuits are defined. Bringing together the scalable circuits and the surrogate constructed approaches forms the core of the (SC) 2 methodology. Our approach allows for a wider set of classical computations on small volumes, which can be used for a more robust extrapolation protocol. While developed in the context of lattice models, the surrogate construction portion is applicable to a wide variety of problems where information about the relative importance of operators in the pool is available. As an example, we use it to compute the properties of the Schwinger model—quantum electrodynamics for a single, massive fermion in 1 +1 dimensions—and show that our method can be used to accurately extrapolate to the continuum limit.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2015

SLS-SPEC-159 Cross-Program Design Specification for Natural Environments (DSNE) Revision D

This document is derived from the former National Aeronautics and Space Administration (NASA) Constellation Program (CxP) document CxP 70023, titled "The Design Specification for Natural Environments (DSNE), Revision C." The original document has been modified to represent updated Design Reference Missions (DRMs) for the NASA Exploration Systems Development (ESD) Programs. The DSNE completes environment-related specifications for architecture, system-level, and lower-tier documents by specifying the ranges of environmental conditions that must be accounted for by NASA ESD Programs. To assure clarity and consistency, and to prevent requirements documents from becoming cluttered with extensive amounts of technical material, natural environment specifications have been compiled into this document. The intent is to keep a unified specification for natural environments that each Program calls out for appropriate application. This document defines the natural environments parameter limits (maximum and minimum values, energy spectra, or precise model inputs, assumptions, model options, etc.), for all ESD Programs. These environments are developed by the NASA Marshall Space Flight Center (MSFC) Natural Environments Branch (MSFC organization code: EV44). Many of the parameter limits are based on experience with previous programs, such as the Space Shuttle Program. The parameter limits contain no margin and are meant to be evaluated individually to ensure they are reasonable (i.e., do not apply unrealistic extreme-on-extreme conditions). The natural environments specifications in this document should be accounted for by robust design of the flight vehicle and support systems. However, it is understood that in some cases the Programs will find it more effective to account for portions of the environment ranges by operational mitigation or acceptance of risk in accordance with an appropriate program risk management plan and/or hazard analysis process. The DSNE is not intended as a definition of operational models or operational constraints, nor is it adequate, alone, for ground facilities which may have additional requirements (for example, building codes and local environmental constraints). "Natural environments," as the term is used here, refers to the environments that are not the result of intended human activity or intervention. It consists of a variety of external environmental factors (most of natural origin and a few of human origin) which impose restrictions or otherwise impact the development or operation of flight vehicles and destination surface systems. These natural environments include the following types of environments: Terrestrial environments at launch, abort, and normal landing sites (winds, temperatures, pressures, surface roughness, sea conditions, etc.); Space environments (ionizing radiation, orbital debris, meteoroids, thermosphere density, plasma, solar, Earth, and lunar-emitted thermal radiation, etc.); Destination environments (Lunar surface and orbital, Mars atmosphere and surface, near Earth asteroids, etc.). Many of the environmental specifications in this document are based on models, data, and environment descriptions contained in the CxP 70044, Constellation Program Natural Environment Definition for Design (NEDD). The NEDD provides additional detailed environment data and model descriptions to support analytical studies for ESD Programs. For background information on specific environments and their effects on spacecraft design and operations, the environment models, and the data used to generate the specifications contained in the DSNE, the reader is referred to the NEDD paragraphs listed in each section of the DSNE. Also, most of the environmental specifications in this document are tied specifically to the ESD DRMs in ESD-10012, Revision B, Exploration Systems Development Concept of Operations (ConOps). Coordination between these environment specifications and the DRMs must be maintained. This document should be compatible with the current ESD DRMs, but updates to the mission definitions and variations in interpretation may require adjustments to the environment specifications.

Roberts, Barry C.↗

NASA NTRS2017

SLS-SPEC-159 Cross-Program Design Specification for Natural Environments (DSNE) Revision E

The DSNE completes environment-related specifications for architecture, system-level, and lower-tier documents by specifying the ranges of environmental conditions that must be accounted for by NASA ESD Programs. To assure clarity and consistency, and to prevent requirements documents from becoming cluttered with extensive amounts of technical material, natural environment specifications have been compiled into this document. The intent is to keep a unified specification for natural environments that each Program calls out for appropriate application. This document defines the natural environments parameter limits (maximum and minimum values, energy spectra, or precise model inputs, assumptions, model options, etc.), for all ESD Programs. These environments are developed by the NASA Marshall Space Flight Center (MSFC) Natural Environments Branch (MSFC organization code: EV44). Many of the parameter limits are based on experience with previous programs, such as the Space Shuttle Program. The parameter limits contain no margin and are meant to be evaluated individually to ensure they are reasonable (i.e., do not apply unrealistic extreme-on-extreme conditions). The natural environments specifications in this document should be accounted for by robust design of the flight vehicle and support systems. However, it is understood that in some cases the Programs will find it more effective to account for portions of the environment ranges by operational mitigation or acceptance of risk in accordance with an appropriate program risk management plan and/or hazard analysis process. The DSNE is not intended as a definition of operational models or operational constraints, nor is it adequate, alone, for ground facilities which may have additional requirements (for example, building codes and local environmental constraints). "Natural environments," as the term is used here, refers to the environments that are not the result of intended human activity or intervention. It consists of a variety of external environmental factors (most of natural origin and a few of human origin) which impose restrictions or otherwise impact the development or operation of flight vehicles and destination surface systems.

Roberts, Barry C.↗

DOE OSTI2024

Investigation of powertrain system decarbonization using electrically assisted turbocharging and hybridization in off-road vehicles

In recent years, the causes, effects, and existential threat of a global anthropogenic climate shift have drawn significant attention and stimulated mitigation efforts from all genres of scientific, political, and industrial bodies. The greenhouse effect and the detrimental environmental impact of excess greenhouse gas (GHG) emissions, like carbon dioxide, is well studied and targeted as the primary culprit for aversive action. However, some fields exist where reducing GHG emissions is met by considerable challenges. One such field is the production and operations of off-road vehicles. Applications of these vehicles are highly diverse and are often characterized by rugged, especially transient, and power intensive duty cycles that make one-fits-all vehicle configuration solutions impractical. This research surveys existing literature to identify the modern technologies packages and challenges that face development and configuration of powertrain systems which currently navigate the regulated emissions and unique duty cycle requirements of this market space. A novel powertrain concept is proposed and evaluated with respect to the pinnacle objectives of load performance improvement, criteria pollutant reduction, and reducing the life cycle GHG intensity of its operation. A sure-fire path to vehicular GHG reduction is through improving the fuel efficiency of internal combustion engines (ICEs), an entrenched component of the off-road vehicle sector. Unfortunately, this is more easily said than done. An approach that has proven successful in this endeavor is engine downsizing and turbocharging, where a larger engine is replaced with a smaller one with added air system boosting via turbocharger to reduce frictional and pumping losses while also enabling access to additional fuel energy. However, practical realization of these potential benefits is often impeded by the transient response capability of the smaller engine across the operating space. For this reason, downsized ICE powertrains have turned to electrified forced induction systems (EFISs) for a decoupling of exhaust energy and engine speed from boost capability. Platformed on 48V hybrid technology, these systems introduce the need for more sophisticated controls around the engine gas-exchange process for the management of boost performance and exhaust gas emissions. On this account, simulation studies utilizing a GT-POWER model of a turbocharged 4.5 L engine outfit with an EFIS using an electrically driven compressor (eBooster®) are conducted to provide insight into the performance of this air handling architecture on an off-road engine. The results show that improvement in transient torque response time in sync with reduction in engine-out soot and NOx emissions are possible with an engine recalibration that leverages the transient air-fuel ratio authority of the eBooster®. Benefits are further demonstrated when duty cycle simulations of the 48V mild-hybrid engine concept are exercised, showing an acute decrease in cumulative fuel usage and soot production. Powertrain hybridization is another technological pathway achieving pronounced GHG reduction successes in modern on-road vehicle applications through integration of Li-ion battery technology. In the off-road vehicle segment, a review of available literature concludes that hybridized architectures are present but generally lack the depth of technologies that have both high specific energy and power capabilities, and thus are limited in their inclusion of Li-ion batteries for ICE assistance and enhanced energy storage capability. Therefore, building on the mild-hybrid engine results, the downsized and eBoosted engine concept was integrated into a larger high-voltage battery-hybrid series-electric powertrain system. Hybrid powertrain parameter sensitivity studies were carried out in a numerical charge-sustaining framework, providing novel insights into power flows between the battery and the engine and how their respective capabilities and operation contribute to GHG and criteria pollutant emissions of diverse duty cycles. Application of supervisory power management introduced robustness into the power sourcing and battery SOC control process and showed that optimum specification of battery properties can yield synergies between GHG emissions and battery energy capacity. Furthermore, examination of recent literature on Li-ion batteries has shown that pack manufacturing is a highly energy intensive process, thereby producing considerable quantities of GHGs that scale with energy storage capacity. Also scaling with a battery’s energy storage capacity is its investment cost. In consideration of these factors, an inclusive technoeconomic and GHG life cycle analysis is conducted. This analysis systematically compares the carbon footprint and total cost of ownership associated with the proposed hybrid powertrain concept to reference and alternative powertrain configurations, facilitating a thorough evaluation of the decarbonization effectiveness and economic viability.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

A quantum processor based on coherent transport of entangled atom arrays

The ability to engineer parallel, programmable operations between desired qubits within a quantum processor is key for building scalable quantum information systems. In most state-of-the-art approaches, qubits interact locally, constrained by the connectivity associated with their fixed spatial layout. Here we demonstrate a quantum processor with dynamic, non-local connectivity, in which entangled qubits are coherently transported in a highly parallel manner across two spatial dimensions, between layers of single- and two-qubit operations. Our approach makes use of neutral atom arrays trapped and transported by optical tweezers; hyperfine states are used for robust quantum information storage, and excitation into Rydberg states is used for entanglement generation. We use this architecture to realize programmable generation of entangled graph states, such as cluster states and a seven-qubit Steane code state. Furthermore, we shuttle entangled ancilla arrays to realize a surface code state with thirteen data and six ancillary qubits and a toric code state on a torus with sixteen data and eight ancillary qubits. Finally, we use this architecture to realize a hybrid analogue–digital evolution and use it for measuring entanglement entropy in quantum simulations, experimentally observing non-monotonic entanglement dynamics associated with quantum many-body scars. Realizing a long-standing goal, these results provide a route towards scalable quantum processing and enable applications ranging from simulation to metrology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

ELECTRONIC STRUCTURE METHODS AND PROTOCOLS WITH APPLICATION TO DYNAMICS, KINETICS AND THERMOCHEMISTRY

Hydrocarbon combustion involves the reaction dynamics of a tremendous number of species beginning with many-component fuel mixtures and proceeding via a complex system of intermediates to form primary and secondary products. Combustion conditions corresponding to new advanced engines and/or alternative fuels rely increasingly on autoignition and low-temperature-combustion chemistry. In these regimes various transient radical species such as HO2, ROO·, ·QOOH, HCO, NO2, HOCO, and Criegee intermediates play important roles in determining the detailed as well as more general dynamics. A clear understanding and accurate representation of these processes is needed for effective modeling. Given the difficulties associated with making reliable experimental measurements of these systems, computation can play an important role in developing these energy technologies. Accurate calculations have their own challenges since even within the simplest dynamical approximations such as transition state theory, the rates depend exponentially on critical barrier heights and these may be sensitive to the level of quantum chemistry. Moreover, it is well-known that in many cases it is necessary to go beyond statistical theories and consider the dynamics. Quantum tunneling, resonances, radiative transitions, and non-adiabatic effects governed by spin-orbit or derivative coupling can be determining factors in those dynamics. Building upon progress made during a period of prior support through the DOE Early Career Program, this project combines developments in the areas of potential energy surface (PES) fitting and multistate multireference quantum chemistry to allow spectroscopically and dynamically/kinetically accurate investigations of key molecular systems (such as those mentioned above), many of which are radicals with strong multireference character and have the possibility of multiple electronic states contributing to the observed dynamics. An ongoing area of investigation is to develop general strategies for robustly convergent electronic structure theory for global multichannel reactive surfaces including diabatization of energy and other relevant surfaces such as dipole transition. Combining advances in ab initio methods with automated interpolative PES fitting allows the construction of high-quality PESs (incorporating thousands of high-level data) to be done rapidly through parallel processing on high-performance computing (HPC) clusters. In addition, new methods and approaches to electronic structure theory will be developed and tested through applications. This project will explore limitations in traditional multireference calculations (e.g., MRCI) such as those imposed by internal contraction, lack of high-order correlation treatment and poor scaling. Methods such as DMRG-based extended active-space CASSCF and various Quantum Monte Carlo (QMC) methods will be applied (including VMC/DMC and FCIQMC). Insight into the relative significance of different orbital spaces and the robustness of application of these approaches on leadership class computing architectures will be gained. Synergy with other components of this research program such as automated PES fitting and multireference quantum chemistry will be used to address challenges encountered by the standard approaches to computational thermochemistry (those being single-reference quantum chemistry and perturbative treatments of the anharmonic vibrational energy, which break down for some cases of electronic structure or floppy strongly coupled vibrational modes).

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Magnetostrictive materials for enhanced sensors and electronic components

Magnetostriction is a property of magnetic materials that causes them to change their shape or dimensions proportional to their magnetization. Low-cost, mechanically robust magnetostrictive sensors would be valuable for a wide range of applications across the DOE and national security mission space, such as monitoring the internal conditions of pipelines, rapidly detecting high-impedance faults in power lines (e.g. trees touching power lines), or enhancing implantable systems for the human body. Dilute doping (<1 at.%) of rare earth elements (REE) has been shown to amplify the magnetostriction. Furthermore, alloy processing by rapid cooling from high temperature tends to result in texturing and therefore greater magnetostriction values, which bodes well for developing advanced manufacturing approaches significantly less expensive than single crystal growth. The goal of this effort was to develop robust, low-cost magnetostrictive materials compatible with advanced manufacturing techniques to exploit the rapid cooling of these approaches while retaining the ability to produce fully dense structures. To be useful as a sensor or actuator the coercivity of the material needs to be minimized so that there is minimal magnetic hysteresis. Employing a small scale laser powder bed fusion (L-PBF) system, specimens of Fe-Ga-Ce were built from alloy powder which had a magnetostriction of 289 ppm along the build direction and 197 ppm perpendicular to the build direction. These values are not far from the 310-350 ppm observed in single crystals of Fe-Ga. The results of the series of samples run suggest this is a very promising route for REE doping to higher levels, especially if the powders can be produced using far from equilibrium approaches such as ultrasonic atomization. The promising results from applying additive manufacturing techniques to these materials, particularly the inexpensive Fe-Al system, has potential for inexpensive high-performing magnetostrictive parts producible at large scales for low-cost sensors.

36 MATERIALS SCIENCE↗

NASA NTRS2011

Sustainably Sourced, Thermally Resistant, Radiation Hard Biopolymer

This material represents a breakthrough in the production, manufacturing, and application of thermal protection system (TPS) materials and radiation shielding, as this represents the first effort to develop a non-metallic, non-ceramic, biomaterial-based, sustainable TPS with the capability to also act as radiation shielding. Until now, the standing philosophy for radiation shielding involved carrying the shielding at liftoff or utilizing onboard water sources. This shielding material could be grown onboard and applied as needed prior to different radiation landscapes (commonly seen during missions involving gravitational assists). The material is a bioplastic material. Bioplastics are any combination of a biopolymer and a plasticizer. In this case, the biopolymer is a starch-based material and a commonly accessible plasticizer. Starch molecules are composed of two major polymers: amylase and amylopectin. The biopolymer phenolic compounds are common to the ablative thermal protection system family of materials. With similar constituents come similar chemical ablation processes, with the potential to have comparable, if not better, ablation characteristics. It can also be used as a flame-resistant barrier for commercial applications in buildings, homes, cars, and heater firewall material. The biopolymer is observed to undergo chemical transformations (oxidative and structural degradation) at radiation doses that are 1,000 times the maximum dose of an unmanned mission (10-25 Mrad), indicating that it would be a viable candidate for robust radiation shielding. As a comparison, the total integrated radiation dose for a three-year manned mission to Mars is 0.1 krad, far below the radiation limit at which starch molecules degrade. For electron radiation, the biopolymer starches show minimal deterioration when exposed to energies greater than 180 keV. This flame-resistant, thermal-insulating material is non-hazardous and may be sustainably sourced. It poses no hazardous waste threats during its lifecycle. The material composition is radiation-tolerant up to megarad doses, indicating its use as a radiation shielding material. It is lightweight, non-metallic, and able to be mechanically densified, permitting a tunable gradient of thermal and radiation protection as needed. The dual-use (thermal and radiation shielding), sustainable nature of this material makes it suitable for both industrial applications as a sustainable/green building material, and for space applications as thermal protection material and radiation shield.

Pugel, Diane↗

DOE OSTI2020

An Energy Calculator for Simple Commercial Buildings

According to the EIA, simple commercial buildings account for 97% of total commercial building stock. However, most simple commercial buildings for example small- to mid-sized offices, retail, schools and warehouses do not benefit from the data-driven decision-making capabilities of whole-building energy modeling. The high cost of custom modeling limits the use of energy modeling of simple buildings for new construction or retrofit measures. Lack of tools providing helpful information on interactive savings estimates creates difficulties in meeting aggressive decarbonization and energy efficiency goals for simple building designers and utility program managers. This paper reviews a beta phase Simple Building Calculator with the ability to generate relatively accurate and interactive modeling results based on a limited but robust set of inputs. It can evaluate whole-building or single measure savings in new or existing buildings, compare measure package choices, or provide simplified performance modeling for energy codes and utility incentives. The tool combines physical (annual whole building prototype simulation) and statistical modeling techniques to predict annual energy performance. It supports a variety of building characteristics for envelope, HVAC, and lighting with parameters ranging from vintage to max tech configurations, as well as support for single-zone and simple multi-zone HVAC systems. The Simple Building Calculator was designed to provide immediate feedback for otherwise computationally intensive tasks like measure comparison, development of multiple measure package combinations, or verification that measures meet efficiency targets—all with the goal of providing a tool for quick annual energy simulation of simple commercial buildings.

Hart, Reid↗

DOE OSTI2022

Evaluation of the Reliability of Passive Infrared (PIR) Occupancy Sensors for Residential Indoor Lighting

Solid-state lighting (SSL) technologies have penetrated the general illumination market in recent years, largely replacing conventional technologies such as incandescent and fluorescent lighting. Most of the initial excitement about light-emitting diode (LED) sources for SSL devices focused on their energy savings potential resulting from vast improvements in source efficiency and luminous efficacy compared with conventional illumination products. More recently, the focus has shifted toward other aspects of lighting application efficiency, namely intensity effectiveness and spectral efficiency, because of the ease of controlling both the light intensity of LEDs with drive voltage and the color properties of the LED-based illuminators. To capitalize on the energy savings of increased intensity effectiveness and spectral efficiency, a lighting control system (LCS) is often used. While the current penetration of LCSs is relatively modest, it is anticipated that lighting controls (i.e., connected lighting, controls and LED and conventional lighting) could have an installed penetration as higher as 46% by the year 2035, saving an additional 1.3 quads of energy. Despite the large energy savings that can be gained from using LCSs, standard test methods for evaluating sensors employed in LCSs and reliability data of the LCSs and their components are generally lacking. The National Electrical Manufacturers Association (NEMA) developed the only standard, NEMA WD 7-2011 (R2016), to test occupancy and motion sensor performance (herein referred to as “the NEMA protocol”). In a previous U.S. Department of Energy (DOE) effort, some concerns of the NEMA protocol were identified (e.g., strict height and weight limits on test subjects, large amounts of manual effort, sometimes inconsistent repeatability). During the current work, a consistent detection length test (DLT) and a Robotic Sensor Evaluation System (RoboSES) were developed to alleviate some of these concerns. RoboSES acts as a human surrogate by using thermal pads on a mannequin and a remote-controlled mobile base to test a sensor’s field of view (FOV). This report builds on the earlier DOE efforts to understand sensor technologies used in LCSs for general illumination. Specifically, this report describes the optimization of RoboSES, characterizes and establishes test methods to assess the reliability of multiple passive infrared (PIR) sensors, and reports the findings of robustness and reliability testing on two commercial PIR sensors intended for residential applications. The information presented in this report is gained from up to 4,000 hours (hrs) of accelerated stress tests (ASTs).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1993

Design, analysis, and testing of high frequency passively damped struts

Objectives of the research are: (1) to develop design requirements for damped struts to stabilize control system in the high frequency cross-over and spill-over range; (2) to design, fabricate and test viscously damped strut and viscoelastically damped strut; (3) to verify accuracy of design and analysis methodology of damped struts; and (4) to design and build test apparatus, and develop data reduction algorithm to measure strut complex stiffness. In order to meet the stringent performance requirements of the SPICE experiment, the active control system is used to suppress the dynamic responses of the low order structural modes. However, the control system also inadvertently drives some of the higher order modes unstable in the cross-over and spill-over frequency range. Passive damping is a reliable and effective way to provide damping to stabilize the control system. It also improves the robustness of the control system. Damping is designed into the SPICE testbed as an integral part of the control-structure technology.

Yiu, Y. C.↗