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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems

We report ultra-high resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Inter-laboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceutics), large-scale environmental studies or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of seventeen laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FTICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized eigenvalue problems through the Unitary Coupled Cluster (UCC) excitation generators. Inspired by the generator coordinate method, we employ these UCC excitation generators to construct non-orthogonal, overcomplete many-body bases, projecting the system Hamiltonian into an effective Hamiltonian, which bypasses issues such as barren plateaus that heuristic numerical minimizers often encountered in standard variational quantum eigensolver (VQE). Diverging from conventional quantum subspace expansion methods, we introduce an adaptive scheme that robustly constructs the many-body basis sets from a pool of the UCC excitation generators. This scheme supports the development of a hierarchical ADAPT quantum-classical strategy, enabling a balanced interplay between subspace expansion and ansatz optimization to address complex, strongly correlated quantum chemical systems cost-effectively, setting the stage for more advanced quantum simulations in chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Root angle is controlled by EGT1 in cereal crops employing an antigravitropic mechanism

Root angle in crops represents a key trait for efficient capture of soil resources. Root angle is determined by competing gravitropic versus antigravitropic offset (AGO) mechanisms. Here we report a root angle regulatory gene termed ENHANCED GRAVITROPISM1 ( EGT1 ) that encodes a putative AGO component, whose loss-of-function enhances root gravitropism. Mutations in barley and wheat EGT1 genes confer a striking root phenotype, where every root class adopts a steeper growth angle. EGT1 encodes an F-box and Tubby domain-containing protein that is highly conserved across plant species. Haplotype analysis found that natural allelic variation at the barley EGT1 locus impacts root angle. Gravitropic assays indicated that Hvegt1 roots bend more rapidly than wild-type. Transcript profiling revealed Hvegt1 roots deregulate reactive oxygen species (ROS) homeostasis and cell wall-loosening enzymes and cofactors. ROS imaging shows that Hvegt1 root basal meristem and elongation zone tissues have reduced levels. Atomic force microscopy measurements detected elongating Hvegt1 root cortical cell walls are significantly less stiff than wild-type. In situ analysis identified HvEGT1 is expressed in elongating cortical and stele tissues, which are distinct from known root gravitropic perception and response tissues in the columella and epidermis, respectively. We propose that EGT1 controls root angle by regulating cell wall stiffness in elongating root cortical tissue, counteracting the gravitropic machinery’s known ability to bend the root via its outermost tissues. We conclude that root angle is controlled by EGT1 in cereal crops employing an antigravitropic mechanism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Multiphysics analysis system for heat pipe cooled micro-reactors employing PRAGMA-OpenFOAM-ANLHTP

A multiphysics analysis system for neutronics/thermo-mechanical/heat-pipe analysis of heat pipe cooled micro-reactors was developed using the PRAGMA code as the neutronics engine. PRAGMA, which used to be a GPU-based continuous-energy MC code for power reactor applications, now has an extended geometry package to handle geometries with unstructured meshes generated by the ANSYS Design-Modeler and Meshing. The NVIDIA ray tracing engine OptiX was exploited for efficient neutron transport on unstructured geometry. On the multiphysics side, the open-source CFD tool OpenFOAM and one-dimensional heat pipe analysis code ANLHTP were adopted. The manager-worker system based on the MPI dynamic process management (DPM) model enables efficient coupling of codes employing different parallelization schemes. With all the features, the multiphysics analysis of the one-sixth symmetrical MegaPower 2D core was performed and it demonstrated the benefit of the tight integration of the three-way coupling system and one-to-one geometry coupling strategy. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Quantum time dynamics employing the Yang-Baxter equation for circuit compression

Quantum time dynamics (QTD) is considered a promising problem for quantum supremacy on near-term quantum computers. However, QTD quantum circuits grow with increasing time simulations. This study focuses on simulating the time dynamics of one-dimensional (1D) integrable spin chains with nearest-neighbor interactions. We have proved the existence of a reflection symmetry in the quantum circuit employed for simulating the time evolution of certain classes of 1D Heisenberg model Hamiltonians by virtue of the quantum Yang-Baxter equation, and how this symmetry can be exploited to compress and produce a shallow quantum circuit. With this compression scheme, the depth of the quantum circuit becomes independent of step size and only depends on the number of spins. We show that the depth of the compressed circuit is rigorously a linear function of the system size for the studied Heisenberg model Hamiltonians in the present work. As a consequence, the number of CNOT gates in the compressed circuit only scales quadratically with the system size, which allows for the simulations of time dynamics of very large 1D spin chains. We derive the compressed circuit representations for different special cases of the Heisenberg Hamiltonian. We compare and demonstrate the effectiveness of this approach by performing simulations on quantum computers.

1-dimensional spin chains↗
DOE OSTI2022

A 194nW Energy-Performance-Aware loT SoC Employing a 5.2nW 92.6% Peak Efficiency Power Management Unit for System Performance Scaling, Fast DVFS and Energy Minimization

A self-powered IoT system-on-chip (SoC) reduces power to sub-μw and employs multiple power-management techniques to trade-off ultra-low power (ULP), higher performance, smaller energy harvester footprint, and longer operating lifetime. Minimum Energy Point Tracking (MEPT) [1]–[4] keeps an SoC operating at the minimum energy point (MEP) to enhance system lifetime. Previous sample-and-hold MEPT schemes need frequent voltage comparisons and a high-frequency clock that increases power [2]. Current-ratio-based MEPT relies on specialized CMOS technology for body-bias tuning [3]. A switched-capacitor-based MEPT can achieve energy minimization at a targeted performance [4], but it uses a 30MHz clock witμW power consumption and low power efficiency. For ULP IoT applications, SoCs need to have ultra-low quiescent power, high efficiency for energy delivery, performance scaling based on available energy, and energy minimization to increase system lifetime. In this work, we propose an ULP IoT SoC with a triple-mode power management unit (PMU) that integrates energy-performance scaling, event-driven fast DVFS, and MEPT features to improve the system energy efficiency, as shown in Fig. 13.8.1. This work achieves a minimum 194nW power consumption for the SoC and 5.2nW quiescent power for the PMU with a 92.6% peak efficiency and >10 4 dynamic range. The timing waveform in Fig. 13.8.1 (bottom), demonstrates the transition of the three modes including energy aware (EA), performance aware (PA), and MEPT based on event priority and input voltage level which reflects the energy availability. As such, the system energy consumption and performance could be well-balanced based on both the input and output conditions.

self-powered IoT system-on-chip (SoC)↗
DOE OSTI2026

A Dual-Active-Bridge Converter Employing a Variable Inductor Without an Auxiliary Circuit

This paper proposes a dual active bridge (DAB) converter employing a variable inductor (VI) without an auxiliary circuit. Unlike conventional VI-based designs that require an external DC bias circuit, the proposed DAB utilizes the input DC current itself as the bias source, enabling automatic inductance variation with load conditions. The inductance naturally increases at low power and decreases at high power, effectively extending the zero voltage switching (ZVS) range and reducing circulating current, respectively. The VI was experimentally implemented and characterized to obtain its inductance-current profile, which was then integrated into a PLECS model of the DAB converter for circuit and thermal simulations. Simulation results confirm that the proposed auxiliary-free VI-DAB converter achieves a wider ZVS range and lower circulating current compared with a conventional fixed-inductor DAB converter. By realizing a variable inductor without any auxiliary bias circuitry, the proposed approach maintains soft switching and reduces reactive current losses across a wide load range, leading to improved efficiency and simplified implementation.

Jo, Cheolhui [ORNL] (ORCID:0000000322692434)↗
DOE OSTI2023

Clean Energy Employment Impacts and Occupational Analyses: Building Envelope & Electrification Upgrades

Under the Communities LEAP (Local Energy Action Program) Pilot, the U.S. Department of Energy (DOE) is working with a group of LEAP communities to bolster workforce development initiatives and support the growth of local employment in the clean energy economy. Through this resource, DOE seeks to provide participating communities with an overview of the types of occupations that could be affected by investments in building envelope and building electrification upgrades in existing building stock - differentiating between the residential and commercial sectors. This occupational analysis is intended to be used by communities to inform workforce initiatives (e.g., local training and education programs) as they implement building energy efficiency and electrification projects at scale.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Clean Energy Workforce and Employment Gap Analysis in the Hill District of Pittsburgh, PA [Slides]

Through Communities LEAP, a community coalition focused on the Hill District neighborhood of Pittsburgh is working with a technical assistance provider network led by the National Renewable Energy Laboratory (NREL). The coalition includes community organizations, nonprofits, the city government, and the utility. Technical assistance provides analysis and information to support Hill District stakeholders in their goals to create informed residential energy efficiency and renewable energy transition strategies that improve housing conditions and lower energy bills, incorporate energy efficiency and renewable energy strategies into existing, community-driven development efforts; and generate quality local jobs. This presentation provides a summary of potential employment impacts of residential energy efficiency investments in the Hill District, aligned with NREL's housing stock analysis; a scan of existing energy efficiency and clean energy workforce and education stakeholders in and around the Hill District; and gaps and potential opportunities for new or expanded training to align with energy efficiency and clean energy goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Pollution in the Press: Employing Text Analytics to Understand Regional Water Quality Narratives

Drinking water has and will continue to be at the foundation of our nation’s well-being and there is a growing interest in United States (US) drinking water quality. Nearly 30% of the United States population obtained their water from community water systems that did not meet federal regulations in 2019. Given the heavy interactions between society and drinking water quality, this study integrates social constructionism, environmental injustice, and sociohydrological systems to evaluate local awareness of drinking water quality issues. By employing text analytics, we explore potential drivers of regional water quality narratives within 25 local news sources across the United States. Specifically, we assess the relationship between printed local newspapers and water quality violations in communities as well as the influence of social, political, and economic factors on the coverage of drinking water quality issues. Results suggest that the volume and/or frequency of local drinking water violations is not directly reflected in local news coverage. Additionally, news coverage varied across sociodemographic features, with a negative relationship between Hispanic populations and news coverage of Lead and Copper Rule, and a positive relationship among non-Hispanic white populations. These findings extend current understanding of variations in local narratives to consider nuances of water quality issues and indicate opportunities for increasing equity in environmental risk communication.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Moving the needle: Employing deep reinforcement learning to push the boundaries of coarse-grained vaccine models

Highly mutable infectious disease pathogens (hm-IDPs) such as HIV and influenza evolve faster than the human immune system can contain them, allowing them to circumvent traditional vaccination approaches and causing over one million deaths annually. Agent-based models can be used to simulate the complex interactions that occur between immune cells and hm-IDP-like proteins (antigens) during affinity maturation—the process by which antibodies evolve. Compared to existing experimental approaches, agent-based models offer a safe, low-cost, and rapid route to study the immune response to vaccines spanning a wide range of design variables. However, the highly stochastic nature of affinity maturation and vast sequence space of hm-IDPs render brute force searches intractable for exploring all pertinent vaccine design variables and the subset of immunization protocols encompassed therein. To address this challenge, we employed deep reinforcement learning to drive a recently developed agent-based model of affinity maturation to focus sampling on immunization protocols with greater potential to improve the chosen metrics of protection, namely the broadly neutralizing antibody (bnAb) titers or fraction of bnAbs produced. Using this approach, we were able to coarse-grain a wide range of vaccine design variables and explore the relevant design space. Our work offers new testable insights into how vaccines should be formulated to maximize protective immune responses to hm-IDPs and how they can be minimally tailored to account for major sources of heterogeneity in human immune responses and various socioeconomic factors. Our results indicate that the first 3 to 5 immunizations, depending on the metric of protection, should be specially tailored to achieve a robust protective immune response, but that beyond this point further immunizations require only subtle changes in formulation to sustain a durable bnAb response.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1962

Magnetically Diffused Radial Electric-Arc Air Heater Employing Water-Cooled Copper Electrodes

A magnetically rotated electric-arc air heater has been developed that is novel in that an intense magnetic field of the order of 10,000 to 25,000 gauss is employed. This field is supplied by a coil that is connected in series with the arc. Experimentation with this heater has shown that the presence of an intense magnetic field transverse to the arc results in diffusion of the arc and that the arc has a positive effective resistance. With the field coil in series with the arc, highly stable arc operation is obtained from a battery power supply. External ballast is not required to stabilize the arc when it is operating at maximum power level. The electrode erosion rate is so low that the airstream contamination is no more than 0.07 percent and may be substantially less.

COPPER↗