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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 757 records · Page 42

Quantum state preparation and nonunitary evolution with diagonal operators

Realizing nonunitary transformations on unitary-gate-based quantum devices is critically important for simulating a variety of physical problems, including open quantum systems and subnormalized quantum states. Here, we present a dilation-based algorithm to simulate nonunitary operations using probabilistic quantum computing with only one ancilla qubit. We utilize the singular-value decomposition (SVD) to decompose any general quantum operator into a product of two unitary operators and a diagonal nonunitary operator, which we show can be implemented by a diagonal unitary operator in a one-qubit dilated space. While dilation techniques increase the number of qubits in the calculation, and thus the gate complexity, our algorithm limits the operations required in the dilated space to a diagonal unitary operator, which has known circuit decompositions. We use this algorithm to prepare random subnormalized two-level states on a quantum device with high fidelity. Furthermore, we present the accurate nonunitary dynamics of two-level open quantum systems in a dephasing channel and an amplitude-damping channel computed on a quantum device. The algorithm presented will be most useful for implementing general nonunitary operations when the SVD can be readily computed, which is the case for most operators in the noisy intermediate-scale quantum computing era.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Astrometric gravitational-wave detection via stellar interferometry

Here, we evaluate the potential for gravitational-wave (GW) detection in the frequency band from 10 nHz to 1 μ Hz using extremely high-precision astrometry of a small number of stars. In particular, we argue that nonmagnetic, photometrically stable, hot white dwarfs (WD) located at ~kpc distances may be optimal targets for this approach. Previous studies of astrometric GW detection have focused on the potential for less precise surveys of large numbers of stars; our work provides an alternative optimization approach to this problem. Interesting GW sources in this band are expected at characteristic strains around h c ~10 -17 × (μHz/ $f$ GW ). The astrometric angular precision required to see these sources is Δθ~h c after integrating for a time T~1/$f$GW. We show that jitter in the photometric center of WD of this type due to starspots is bounded to be small enough to permit this high-precision, small-N approach. We discuss possible noise arising from stellar reflex motion induced by orbiting objects and show how it can be mitigated. The only plausible technology able to achieve the requisite astrometric precision is a space-based stellar interferometer. Such a future mission with few-meter-scale collecting dishes and baselines of $\mathscr{O}$(100 km ) is sufficient to achieve the target precision. This collector size is broadly in line with the collectors proposed for some formation-flown, space-based astrometer or optical synthetic-aperture imaging-array concepts proposed for other science reasons. The proposed baseline is however somewhat larger than the km-scale baselines discussed for those concepts, but we see no fundamental technical obstacle to utilizing such baselines. A mission of this type thus also holds the promise of being one of the few ways to access interesting GW sources in this band.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Measurements of differential cross sections of Higgs boson production through gluon fusion in the $H\rightarrow WW^{*}\rightarrow e\nu \mu \nu$ final state at $\sqrt{s} = 13$ TeV with the ATLAS detector

Higgs boson production via gluon–gluon fusion is measured in the $H\rightarrow WW^{*}\rightarrow e\nu \mu \nu$ decay channel. The dataset utilized corresponds to an integrated luminosity of 139 fb -1 collected by the ATLAS detector from $\sqrt{s} = 13$ TeV proton–proton collisions delivered by the Large Hadron Collider between 2015 and 2018. Differential cross sections are measured in a fiducial phase space restricted to the production of at most one additional jet. The results are consistent with Standard Model expectations, derived using different Monte Carlo generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

MFVI Energy Efficiency Audit Training Module 3.1: Cooling Systems [Slides]

This slide deck is designed to help trained energy efficiency professionals conduct an energy efficiency audit for commercial and industrial buildings, particularly for micro-, small-, and medium-sized businesses in Mexico. This training module is focused on cooling systems. As such, it will assist its user in determining the optimal cooling system for a given space and then identifying the most efficient means of delivering that system.

21CPP↗

Impacts of Electric Space Heating in Multifamily Apartments in Juneau, Alaska [Slides]

The study objective was to understand the change in electrical consumption and cost after the addition of a ductless mini-split air-source heat pump (ASHP) across rental apartments heated by electrical resistance heating systems in multifamily buildings in Juneau, Alaska. Alaska Electric Light and Power Company (AELP), the utility in Juneau, Alaska, funded installation of 19 heat pumps across four buildings. Using electrical meter interval data, including the total apartment consumption and submeter data for each heating appliance (electric resistance baseboard and heat pump), the National Laboratory of the Rockies (NLR) calculated energy use metrics before and after heat pump installation and visualized results. Through this research, NLR compares electrical use (total and specific to heating appliances), adjusted for weather and apartment size, and electrical demand in the year before and after installation of an ASHP across study units. The results will inform the utility and residents of documented energy and cost savings from transitioning building heating systems to a higher-efficiency electricity-based appliance, deliver a basis for building energy modeling across other multifamily housing dwellings, and enable estimates of potential electricity savings to AELP grid under widespread adoption scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Majorana pair based qubits for fault tolerant quantum computing architecture using superconducting gold surface states

Under certain conditions, a fermion in a superconductor can separate in space into two parts known as Majorana zero modes, which are immune to decoherence from local noise sources and are attractive building blocks for quantum computers. Here we disclose a metal-based heterostructure platform to produce these Majorana zero modes which utilizes the surface states of certain metals in combination with a ferromagnetic insulator and a superconductor. This platform has the advantage of having a robust energy scale and the possibility of realizing complex circuit designs using lithographic methods. The Majorana zero modes are interrogated using planar tunnel junctions and electrostatic gates to selectively tunnel into designated pairs of Majorana zero modes. We give example of qubit designs and circuits that are particularly suitable for the metal-based heterostructures.

Moodera, Jagadeesh S.↗

Gas–Phase Preparation of the 14π Hückel Polycyclic Aromatic Anthracene and Phenanthrene Isomers (C 14 H 10 ) via the Propargyl Addition–BenzAnnulation (PABA) Mechanism

Polycyclic aromatic hydrocarbons (PAHs) imply the missing link between resonantly stabilized free radicals and carbonaceous nanoparticles, commonly referred to as soot particles in combustion systems and interstellar grains in deep space. Whereas gas phase formation pathways to the simplest PAH – naphthalene (C 10 H 8 ) – are beginning to emerge, reaction pathways leading to the synthesis of the 14π Hückel aromatic PAHs anthracene and phenanthrene (C 14 H 10 ) are still incomplete. Here, by utilizing a chemical microreactor in conjunction with vacuum ultraviolet (VUV) photoionization (PI) of the products followed by detection of the ions in a reflectron time-of-flight mass spectrometer (ReTOF-MS), the reaction between the 1'- and 2'-methylnaphthyl radicals (C 11 H 9 •) with the propargyl radical (C 3 H 3 •) accesses anthracene (C 14 H 10 ) and phenanthrene (C 14 H 10 ) via the Propargyl Addition–BenzAnnulation (PABA) mechanism in conjunction with a hydrogen assisted isomerization. Furthermore, the preferential formation of the thermodynamically less stable anthracene isomer compared to phenanthrene suggests a kinetic, rather than a thermodynamics control of the reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The new physics case for beam-dump experiments with accelerated muon beams

As the field examines a future muon collider as a possible successor to the LHC, we must consider how to fully utilize not only the high-energy particle collisions, but also any lower-energy staging facilities necessary in the R&D process. An economical and efficient possibility is to use the accelerated muon beam from either the full experiment or from cooling and acceleration tests in beam-dump experiments. Beam-dump experiments are complementary to the main collider as they achieve sensitivity to very small couplings with minimal instrumentation. We demonstrate the utility of muon beam-dump experiments for new physics searches at energies from 10 GeV to 5 TeV. We find that, even at low energies like those accessible at staging or demonstrator facilities, it is possible to probe new regions of parameter space for a variety of generic BSM models, including muonphilic, leptophilic, L μ − L τ , and dark photon scenarios. Such experiments could therefore provide opportunities for discovery of new physics well before the completion of the full multi-TeV collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Geothermal-integrated thermally anisotropic building envelope for energy and peak-demand reduction

Buildings consume large amounts of energy for heating and cooling, while peak electricity demand places significant stress on the power grid. This paper presents a reduced-order co-simulation framework and load-oriented supervisory control strategy for a geothermal-integrated thermally anisotropic building envelope with a ground loop (TABE+GL). In TABE+GL, a hydronic loop embedded in the building envelope is directly coupled with a geothermal ground loop, allowing for bidirectional heat exchange between the envelope, the ground, and the indoor environment. A hybrid co-simulation framework was established by coupling a reduced-order resistor–capacitor (RC) thermal network model with EnergyPlus augmented with GHEDesigner modules. The RC model generated feasible heat flux options under three operating modes, and EnergyPlus predicted sensible loads, energy use, and pump energy demand. At each simulation step, a supervisory control algorithm selected the optimal loop configuration and duty factor that maximizes useful TABE geothermal utilization without exceeding the predicted sensible load, thereby avoiding overheating or cooling. Case studies were conducted for Los Angeles, California, Charleston, South Carolina, and Denver, Colorado. Results showed that the proposed framework reduced HVAC electricity consumption by 43%–67%, natural gas use for space heating by 11%–38%, and peak electricity demand by 43%–88%. These results highlight the potential of combining reduced-order envelope modeling, direct geothermal coupling, and load-oriented supervisory control to improve whole building energy performance and reduce peak demand across diverse weather conditions.

Howard, Daniel [Southern Adventist University]↗

Multiscale geographically and temporally weighted regression (MGTWR): exploring the spatiotemporal heterogeneity of EV market adoption

As an innovative vehicle technology, electric vehicles are experiencing growing sales and have made significant inroads into the traditional automotive market in the United States and around the world. However, EV adoption rates vary significantly across space and over time, influenced by a complex interplay of socio-economic and infrastructural factors alongside federal and state policies. Here, this paper presents a comprehensive spatial–temporal investigation of EV market adoption within one city in the US, that of Chicago, utilizing Multiscale Geographically and Temporally Weighted Regression (MGTWR) alongside Multiscale Geographically Weighted Regression (MGWR). The aim is to unravel the spatial and temporal dynamics affecting EV adoption and to explore how the influence of various determinants of EV adoption, such as demographic factors and economic conditions, vary spatially. Moreover, by utilizing MGTWR, we provide insights into the evolution of these relationships over time, offering a predictive outlook on future EV market growth. Our findings, with an 86.6% prediction accuracy for EV market adoption, tailored policy measures to support accelerated EV adoption. Methodologically, this work advances MGWR frameworks by integrating temporal dynamics to examine nonstationary processes in spatially disaggregated contexts. These findings offer evidence–based guidance for policymakers, urban planners, and stakeholders in the automotive industry, supporting the transition toward a more sustainable and efficient transportation system.

EV Market Adoption↗

Enumeration as a Tool for Structure Solution: A Materials Genomic Approach to Solving the Cation-Ordered Structure of Na 3 V 2 (PO 4 ) 2 F 3

While powder diffraction methods are routinely utilized to optimize structural models for compounds whose crystal structures are known, the determination of unknown structures is far more challenging. When the unknown structure is large, structure solution can become a virtually intractable problem using standard structure solution methodologies, especially when the space group cannot be unambiguously resolved. One such system is the promising Na-ion battery cathode material Na 3 V 2 (PO 4 ) 2 F 3 whose high temperature and room temperature structures were previously solved, but whose more complex low-temperature structure could not be determined. Here, a novel materials genomic approach is demonstrated for the solution of the unknown 100 K structure of Na 3 V 2 (PO 4 ) 2 F 3 in which enumeration methods are first used to generate a large number (~3,000) of trial structures based on plausible orderings of Na ions and then automated Rietveld refinements are carried out to optimize each of these trial structures. Based on both the analysis of the ensemble of optimized trial structures and the density functional theory energy minimization of selected trial structures, the 100 K structure of Na 3 V 2 (PO 4 ) 2 F 3 is best described as belonging to the space group A2 1 am with unit cell dimensions of a = 9.01928(4), b = 27.1379(1), c = 10.73307(5). The 100 K unit cell has a large volume of 2627.07(2) Å 3 with Z = 12 and 33 independent crystallographic sites (9 Na, 3 V, 3 P, 12 O, and 6 F) that is 3x and 6x larger than the room- and high-temperature polymorphs of this phase, respectively. Finally, the novel methods described here will be generally applicable for the solution of the complex cation-ordered structures that commonly occur for battery materials.

36 MATERIALS SCIENCE↗

Localizing resonant magnetic perturbations for edge localized mode control in KSTAR

An external 3D magnetic perturbation typically drives a resonant response at the rational surfaces from the core to the edge of tokamak plasmas, due to strong mode coupling and amplification. In this paper, we present a method to isolate the edge from core resonant fields using the ideal perturbed equilibrium code and to design an edge-localized resonant magnetic perturbation (RMP) for effective edge localized mode (ELM) control. A robust feature of the edge-localized RMP is the curtailed response to the field at the low-field-side (LFS) midplane, as opposed to typical RMPs which strongly resonate with the LFS fields. This emphasizes the importance of off-midplane coils to improve ELM control without provoking a large core response that could lead to devastating instabilities. The conceptual design of new ELM control coils based on the edge-localized RMP in KSTAR shows how this new insight can be utilized to enhance the efficiency of our ELM suppression capabilities. Simple window-pane coils matching the edge-localized resonant mode structure substantially expand in the ELM suppression window beyond the existing coil. Further optimization using the flexible optimized coils using space-curves code leads to additional enhancement in the edge-localized control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of pattern transfer process on roughness of block copolymer patterns from directed self-assembly

Block copolymer-directed self-assembly (DSA) remains promising for improving pattern quality and reducing the stochastic variations that challenge high numerical aperture extreme ultraviolet lithography. Equally critical is refining pattern transfer methods for accurately transferring the rectified DSA features to the underlying substrate. We compare two atomic layer deposition (ALD)-based techniques: sequential infiltration synthesis (SIS) and dry liftoff, applied to polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) DSA patterns. Both methods utilize aluminum oxide hard masks, with one synthesized through infiltration into the PMMA domains and the other through conformal ALD coating. High-resolution scanning electron micrographs were analyzed to measure line edge, width, and placement roughness for both the line (PMMA) and space (PS) features. Although both methods yielded similar overall 3σ rms roughness, they differed significantly in the frequency-dependent power spectral density (PSD) profiles. SIS reduced line placement roughness at length scales associated with the polymer pitch, but increased space width roughness at low frequencies, whereas dry liftoff mimicked the frequency content of the original guiding pattern. This study underscores the importance of PSD evaluation in selecting optimal pattern transfer strategies for specific applications.

Block copolymers↗

Measurements at peak operational beam current in the SNS beam test facility

Work at the SNS beam test facility has focused on high dimensional and high dynamic range measurements of the medium energy (2.5 Mev) beam distribution. This is motivated by the need to understand and predict beam losses down to one-part-per-million. The initial demonstration of full-and-direct 6D phase space measurement was done at a current of 40 mA transported through the RFQ. Since that demonstration, more detailed studies have been performed at lower transported currents (in the range 30 mA and below). This is due to a hardware change - recent runs utilize the original SNS RFQ, which after a decade of service in the SNS achieves transmission significantly below design (50-60%, vs >80%). A short run in 2023 with a newly-commissioned RFQ enables maximum transmission. Preliminary results from beam distribution measurements during this run are discussed.

Ruisard, Kiersten↗

Finch: Toxicity Dose Response Curve Prediction of Chemical Compounds and Mixtures

A paradigm shift in chemical risk assessment is emphasizing mixture testing over single compound analysis, eliminating animal testing, and adopting advanced modeling approaches to understand mixture activity profiles. However, existing computational models largely focus on single chemicals, with few effective solutions for modeling complex mixtures that account for synergistic or antagonistic effects and multiple Modes of Action (MoA). Conventional methods like concentration addition (CA) and independent action (IA) are insufficient for this task as they are designed for simplistic interactions and struggle to account for the dynamic and multifaceted nature of chemical mixtures, such as overlapping MoA and non-linear interactions. Finch offers a novel approach utilizing deep learning (DL) embeddings and multi-task quantitative structure-activity relationship (QSAR) models to improve chemical exposure prediction. By leveraging molecular descriptors, physiochemical properties, and large language model (LLM) embeddings from SMILES inputs, Finch preserves critical information in a latent space thereby enhancing predictive accuracy. The multi-task learning aspect of Finch is highly advantageous, as it simultaneously optimizes multiple loss functions, leveraging all available data across tasks to develop generalized representations that effectively capture complex ingredient interactions within mixtures.

59 BASIC BIOLOGICAL SCIENCES↗

Modeling of Liquid Hydrogen Tank Cooled with Para-Orthohydrogen Conversion

With the accelerating development of liquid-hydrogen storage facilities, the problem of boil-off hydrogen losses becomes very important. A promising method to reduce these losses is to utilize the endothermic para-orthohydrogen conversion of vented hydrogen, which can effectively decrease heat loads on a hydrogen tank. To model such a process, a hybrid computational model has been developed, based on the application of computational fluid dynamics for an ullage space, where knowledge of thermal stratification is important, and reduced-order models for other system elements. The simulation results for a spheroidal tank in selected conditions indicated a 10–25% reduction of boil-off losses due to cooling produced by vented hydrogen undergoing para-ortho-conversion.

08 HYDROGEN↗

REIMAGINING HEAT EXCHANGERS FOR NEXT GENERATION ENVIRONMENTAL SYSTEMS

Air-to-refrigerant heat exchangers (HXs) are essential components in space conditioning, refrigeration, and power systems, and recent efforts have focused on making these devices more compact, reducing refrigerant charge and lowering manufacturing costs. Historically, HX innovation has been limited by available computational resources, design tools, and manufacturing constraints. The best available technologies utilize tube-fin and micro- or macro-channel tubes with fins, which are not necessarily the optimal designs achievable with current technology. In this paper, we highlight the latest advancements in air-to-refrigerant HXs, specifically emphasizing innovations achieved through shape and topology optimization. A multi-scale design optimization approach is introduced, alongside similar methods in literature, which enable highly sophisticated shape-optimized tube designs with more than 50% reduction in size and 25% reduction in refrigerant charge, essential for A3 refrigerant charge limit compliance. The frameworks integrate traditional heat and mass transfer science with state-of-the-art machine learning, genetic algorithms, and adjoint algorithms to create novel designs. While many of these innovative designs may not be manufacturable using conventional methods, they allow us explore the boundaries of what is possible. These novel air-to-refrigerant HXs are key enablers for ultra-low-refrigerant charge heat pump and refrigeration systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

MFVI Energy Efficiency Audit Training Module 2.2: Plug Loads Analysis [Slides]

This guide is designed to help trained energy efficiency professionals conduct an energy efficiency audit for commercial and industrial buildings, particularly for micro-, small-, and medium-sized businesses in Mexico. This guide is focused on auditing plug load systems. As such, it will assist its user in documenting the plug loads in the space and then identifying the most efficient means of delivering those plug loads.

21CPP↗