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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Two-loop radiative jet function for exclusive B-meson and Higgs decays

The rare radiative B -meson decay \( {B}^{-}\to \gamma {\mathrm{\ell}}^{-}\overline{v} \) and the radiative Higgs-boson decay h → γγ mediated by light-quark loops both receive large logarithmic corrections in QCD, which can be resummed using factorization theorems derived in soft-collinear effective theory. In these factorization theorems the same radiative jet function appears, which is a central object in the study of factorization beyond the leading order in scale ratios. We calculate this function at two-loop order both in momentum space and in a dual space, where its renormalization-group evolution takes on a simpler form. We also derive the two-loop anomalous dimension of the jet function and present the exact solution to its evolution equation at two-loop order. Another important outcome of our analysis is the explicit form of the two-loop anomalous dimension of the B -meson light-cone distribution amplitude in momentum space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Quantum algorithm for the linear Vlasov equation with collisions

The Vlasov equation is a nonlinear partial differential equation that provides a first-principles description of the dynamics of plasmas. Its linear limit is routinely used in plasma physics to investigate plasma oscillations and stability. In this paper, we present a quantum algorithm that simulates the linearized Vlasov equation with and without collisions, in the one-dimensional electrostatic limit. Rather than solving this equation in its native spatial and velocity phase space, we adopt an efficient representation in the dual space yielded by a Fourier-Hermite expansion. For a given simulation time, the Fourier-Hermite representation is exponentially more compact, thus yielding a classical algorithm that can match the performance of a previously proposed quantum algorithm for this problem. Further, this representation results in a system of linear ordinary differential equations (ODEs) which can be solved with well-developed quantum algorithms: a Hamiltonian simulation in the collisionless case, and quantum ODE solvers in the collisional case. In particular, we demonstrate that a quadratic speedup in system size is attainable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The Quantum Condition Space

Abstract The fundamental properties of quantum physics are exploited to evaluate event probabilities with projection measurements. Next, to study what events can be specified by quantum methods, the concept of the condition space is introduced, which is found to be the dual space of the classical outcome space of bit strings. Like the classical outcome space generates the quantum state space, the condition space generates the quantum condition space being the central idea of this work. The quantum condition space permits the existence of entangled conditions having no classical equivalent. In addition, the quantum condition space is related to the quantum state space by a Fourier transform guaranteed by the Pontryagin duality, and therefore an entropic uncertainty principle can be defined. The quantum condition space offers a novel perspective of understanding quantum states with the duality picture. Furthermore, the quantum conditions have physical meanings and realizations of their own and thus may be studied for purposes beyond the original motivation of characterizing events for probability evaluation. Finally, the relation between the condition space and quantum circuits provides insights into how quantum states are collectively modified by quantum gates, which may lead to deeper understanding of the complexity of quantum circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Reuniting crystallography with real space: Ab initio structure elucidation with 4D-STEM

Structure elucidation via single-crystal methods has historically lacked experimental access to real-space information, instead relying exclusively on diffraction-space measurements of Bragg reflections. Here we exploit the dual-space imaging power of 4D scanning transmission electron microscopy to meaningfully integrate real-space information into the crystallographic workflow. We show that virtual apertures assembled by segmentation of high-angle annular dark-field images enable i) pixel-by-pixel separation of coherent Bragg signal from clusters of closely spaced nanocrystals and ii) selective extraction of integrated intensities from thinner subregions of individual specimens, facilitating retroactive tuning of multiple scattering artifacts. This strategy empowers us to simply pick and choose whichever nanoscale regions of interest generate the highest-quality diffraction patterns, allowing us to solve several independent structures of the metal-organic framework UiO-66 from specimens whose agglomerated morphology proved intractable for conventional microcrystal electron diffraction. Our method is compatible with both rotational and serial approaches to data processing, ultimately divulging the first scanning nanobeam electron diffraction structures determined by direct methods at subangstrom resolution.

Saha, Ambarneil↗
DOE OSTI2025

Optical neural engine for solving scientific partial differential equations

Abstract Solving partial differential equations (PDEs) is the cornerstone of scientific research and development. Data-driven machine learning (ML) approaches are emerging to accelerate time-consuming and computation-intensive numerical simulations of PDEs. Although optical systems offer high-throughput and energy-efficient ML hardware, their demonstration for solving PDEs is limited. Here, we present an optical neural engine (ONE) architecture combining diffractive optical neural networks for Fourier space processing and optical crossbar structures for real space processing to solve time-dependent and time-independent PDEs in diverse disciplines, including Darcy flow equation, the magnetostatic Poisson’s equation in demagnetization, the Navier-Stokes equation in incompressible fluid, Maxwell’s equations in nanophotonic metasurfaces, and coupled PDEs in a multiphysics system. We numerically and experimentally demonstrate the capability of the ONE architecture, which not only leverages the advantages of high-performance dual-space processing for outperforming traditional PDE solvers and being comparable with state-of-the-art ML models but also can be implemented using optical computing hardware with unique features of low-energy and highly parallel constant-time processing irrespective of model scales and real-time reconfigurability for tackling multiple tasks with the same architecture. The demonstrated architecture offers a versatile and powerful platform for large-scale scientific and engineering computations.

Tang, Yingheng (ORCID:0009000153622546)↗
DOE OSTI2025

BPS and near-BPS black holes in AdS 5 and their spectrum in $\mathcal{N}$ = 4 SYM

We study quantum corrections in the gravitational path integral around nearly 1/16-BPS black holes in asymptotically AdS 5 × S 5 space, dual to heavy states in 4D N = 4 super Yang-Mills. The analysis provides a gravitational explanation of why 1/16-BPS black holes exhibit an exact degeneracy at large N and why all such states have the same charges, confirming the belief that the superconformal index precisely counts the entropy of extremal black holes. We show the presence of a gap of order N −2 between the 1/16-BPS black holes and the lightest near-BPS black holes within the same charge sector. This is the first example of such a gap for black hole states within the context of AdS 5 holography. We also derive the spectrum of near-BPS states that lie above this gap. Our computation relies on finding the correct version of the N = 2 super-Schwarzian theory which captures the breaking of the SU(1, 1|1) symmetry when the black hole has finite temperature and non-zero chemical potential. Finally, we comment on possible stringy and non-perturbative corrections that can affect the black hole spectrum.

AdS-CFT Correspondence↗
DOE OSTI2025

Interplay between Cation “Coloring” and Stereochemically Active Lone Pairs in AgBiS 2 Thin Films

Solution-processed AgBiS 2 thin films were fabricated using novel thiol− amine precursor inks to investigate the stereochemical activity of Bi 3+ 6s 2 lone pairs and their impact on the structure. A dual-space analysis combining Bragg diffraction and hard X-ray photoelectron spectroscopy (HAXPES) revealed a rock salt-like average structure with local distortions linked to cation coloring. Density functional theory (DFT) and crystal orbital Hamilton population (COHP) analyses confirmed that local Bi-rich and Ag-rich nanodomains amplify stereochemical activity, whereas more mixed and cation-order nanodomains are less stereochemically active. This local, nanoscopic mixing of segregated and ordered domains would indeed explain an average Fm3̅m structure that is rock salt-like and that does not manifest the full anharmonicity and noncentrosymmetry evidenced in canonical structures with stereochemical expression. These findings provide insights into the local structural and electronic complexities governing the optoelectronic properties of AgBiS 2 thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

On finite-dimensional smoothed-particle Hamiltonian reductions of the Vlasov equation

The inclusion of spatial smoothing in finite-dimensional particle-based Hamiltonian reductions of the Vlasov equation and related models is considered. Here, this work investigates the underlying Hamiltonian structure of such smoothed particle-based methods for Hamiltonian systems and the small-scale regularization such methods implicitly make in approximating the continuum theory. In the context of the Vlasov–Poisson equation and other mean-field Lie–Poisson systems, of which Vlasov–Poisson is a special case, smoothing amounts to a convolutive regularization of the Hamiltonian. This regularization may be interpreted as a change of the inner product structure used to identify the dual space in the Lie–Poisson Hamiltonian formulation. In particular, the shape function used for spatial smoothing may be identified as the kernel function of a reproducing kernel Hilbert space whose inner product is used to define the Lie–Poisson Hamiltonian structure. It is likewise possible to introduce smoothing in the Vlasov–Maxwell system, but in this case the Poisson bracket must be modified rather than the Hamiltonian. The smoothing applied to the Vlasov–Maxwell system is incorporated by inserting smoothing in the map from canonical to kinematic coordinates. In the filtered system, the Lorentz force law and the current, the two terms coupling the Vlasov equation with Maxwell’s equations, are spatially smoothed.

Hamiltonian mechanics↗
DOE OSTI2021

Renormalized site density functional theory

Site density functional theory (SDFT) provides a rigorous framework for statistical mechanics analysis of inhomogeneous molecular liquids. The key defining feature of these systems is the presence of two very distinct interactions scales (intra- and inter-molecular), and as such proper description of both effects is critical to the accuracy of the calculations. Current SDFT applications utilize the same approximation scheme for both interaction motifs, which negatively impacts the results. Dual space methodology, used in this work, alleviates this issue by providing the flexibility of evaluating part of the interactions in traditional field representation. For molecular liquid this translates into retaining density representation for inter-molecular interactions but describing stiff intra-molecular remainder by more appropriate conventional field based methods. This opens the way to decouple analysis of the two interactions scales - the idea which is developed further in this work for the case of homogeneous reference approximation of inter-molecular interactions. We demonstrate that by defining new collective variables, the behavior of the original molecular liquid system at the inter-molecular level can be transformed to resemble that of an effective simple fluid mixture. The latter is linked to intra-molecular scale through renormalized interaction parameters. We illustrate this renormalization procedure for several types of diatomic liquids, showing that this approach cures many of the shortcomings of existing SDFT methods.

Chuev, Gennady N.↗
DOE OSTI2025

Imaging the Progression of Radiolytic Damage in Molecular Crystals with Scanning Nanobeam Electron Diffraction

Almost every electron microscopy experiment is fundamentally limited by radiation damage. Nevertheless, little is known about the onset and progression of radiolysis in beam-sensitive materials. Here we apply ambient-temperature scanning nanobeam electron diffraction to record simultaneous dual-space movies of organic and organometallic nanocrystals at sequential stages of beam-induced radiolytic decay. We show that the underlying mosaic of coherently diffracting domains undergoes internal rearrangement as a function of accumulating electron fluence, causing the intensities of some associated Bragg reflections to fade nonmonotonically. Furthermore, we demonstrate that repeated irradiation at a single probe position leads to the isotropic propagation of delocalized radiolytic damage well beyond the direct footprint of the incident beam. We refer to these expanding tides of amorphization as “impact craters.”

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Exact multi-instanton solutions to self-dual Yang–Mills equation on curved spaces

We find exact multi-instanton solutions to the self-dual Yang–Mills equation on a large class of curved spaces with SO(3) isometry, generalizing the results previously found on R 4 . Here, the solutions are featured with explicit multi-centered expressions and topological properties. As examples, we demonstrate the approach on several different curved spaces, including the Einstein static universe and R × dS$^{E}_{3}$, and show that the exact multi-instanton solutions exist on these curved backgrounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Dual Impacts of Space Heating Electrification and Climate Change Increase Uncertainties in Peak Load Behavior and Grid Capacity Requirements in Texas

Around 60% of households in Texas currently rely on electricity for space heating. As decarbonization efforts increase, non‐electrified households could adopt electric heat pumps, significantly increasing peak (highest) electricity demand in winter. Simultaneously, anthropogenic climate change is expected to increase temperatures, the potential for summer heat waves, and associated electricity demand for cooling. Uncertainty regarding the timing and magnitude of these concurrent changes raises questions about how they will jointly affect the seasonality of peak demand, firm capacity requirements, and grid reliability. This study investigates the net effects of residential space heating electrification and climate change on long‐term demand patterns and load shedding potential, using climate change projections, a predictive load model, and a direct current optimal power flow (DCOPF) model of the Texas grid. Results show that full electrification of residential space heating by replacing existing fossil fuel use with higher efficiency heat pumps could significantly improve reliability under hotter futures. Less efficient heat pumps may result in more severe winter peaking events and increased reliability risks. As heating electrification intensifies, system planners will need to balance the potential for greater resource adequacy risk caused by shifts in seasonal peaking behavior alongside the benefits (improved efficiency and reductions in emissions).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Positive geometry, local triangulations, and the dual of the Amplituhedron

We initiate the systematic study of local positive spaces which arise in the context of the Amplituhedron construction for scattering amplitudes in planar maximally supersymmetric Yang-Mills theory. We show that all local positive spaces relevant for one-loop MHV amplitudes are characterized by certain sign-flip conditions and are associated with surprisingly simple logarithmic forms. In the maximal sign-flip case they are finite one-loop octagons. Particular combinations of sign-flip spaces can be glued into new local positive geometries. These correspond to local pentagon integrands that appear in the local expansion of the MHV one-loop amplitude. We show that, geometrically, these pentagons do not triangulate the original Amplituhedron space but rather its twin “Amplituhedron-Prime”. This new geometry has the same boundary structure as the Amplituhedron (and therefore the same logarithmic form) but differs in the bulk as a geometric space. On certain two-dimensional boundaries, where the Amplituhedron geometry reduces to a polygon, we check that both spaces map to the same dual polygon. Interestingly, we find that the pentagons internally triangulate that dual space. This gives a direct evidence that the chiral pentagons are natural building blocks for a yet-to-be discovered dual Amplituhedron.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

The dual of non-extremal area: differential entropy in higher dimensions

The Ryu-Takayanagi formula relates entanglement entropy in a field theory to the area of extremal surfaces anchored to the boundary of a dual AdS space. It is interesting to ask if there is also an information theoretic interpretation of the areas of non-extremal surfaces that are not necessarily boundary-anchored. In general, the physics outside such surfaces is associated to observers restricted to a time-strip in the dual boundary field theory. When the latter is two-dimensional, it is known that the differential entropy associated to the strip computes the length of the dual bulk curve, and has an interpretation in terms of the information cost in Bell pairs of restoring correlations inaccessible to observers in the strip. A general realization of this formalism in higher dimensions is unknown. We first prove a no-go theorem eliminating candidate expressions for higher dimensional differential entropy based on entropic c-theorems. Then we propose a new formula in terms of an integral of shape derivatives of the entanglement entropy of ball shaped regions. Our proposal stems from the physical requirement that differential entropy must be locally finite and conformally invariant. Demanding cancelation of the well-known UV divergences of entanglement entropy in field theory guides us to our conjecture, which we test for surfaces in AdS 4 . Our results suggest a candidate c-function for field theories in arbitrary dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Utah FORGE: Well 56-32 Drilling Data and Logs

This dataset consists of drilling data (Pason data spreadsheets, daily reports, days v. depth, mud logs), Schlumberger logs (FMI, shear anisotropy analysis, memory, sonic, array induction/spectral density/dual spaced neutron/gamma ray/caliper, spectral GR/temperature, and Gardner density correlation), and an end of well report (EOWR) for Utah FORGE well 56-32. This is a vertical well that will be used for seismic monitoring. It was drilled between February 7th and February 21st 2021 to a depth of 9,145 feet. More information about this well can be found at: https://utahforge.com/2021/02/09/drilling-progress-of-well-56-32/ (linked below)

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Hybrid Heat Pump Controls: Conventional Dual Fuel versus Seamlessly Fuel Flexible Heat Pump

This paper compares the performance of a novel seamlessly fuel flexible heat pump (SFFHP) and conventional dual fuel heat pump (DFHP) for space heating. The conventional dual fuel systems either run on the gas furnace or electric heat pump at any given moment, as a comparison, the proposed seamlessly fuel flexible heat pump simultaneously consumes gas and electricity by continuously optimizing the proportion of each. The process air flows across the heat pump condenser first and then flows across the furnace coil, therefore, the heat pump temperature lift is reduced. SFFHP delivers energy savings by allowing each subsystem, i.e., gas furnace and electric heat pump, to operate where it performs best.For DFHP, two operation control strategies, i.e., non-restricted control and restricted control, are available on market. For the non-restricted mode, the thermostat has a switching temperature-programmed according to the balancing point of heating load and capacity curve. Heat pump operates above the switching temperature, while the furnace takes over under the switching temperature. For the restricted control, the compressor of a heat pump is disabled below a predefined lockout outdoor temperature to let the furnace take over. For SFFHP, a model predictive control strategy is developed to continuously adjust the capacities of the electric heat pump and gas furnace based on the foreseen weather data, utility price signals, and marginal grid emission signals with the goal of minimizing the utility cost and CO2 emission while guaranteeing comfort requirements.In this paper, DFHP and SFFHP are simulated using high-fidelity heat pump performance curves generated from DOE/ORNL heat pump design model. Performance comparison of DFHP and SFFHP during 2019-2020 heating season in Los Angeles shows that SFFHP with model predictive control achieves 23% utility cost reduction and 17 % CO2 emission reduction. Case studies demonstrate that SFFHP can deliver significant reductions in peak demand, utility cost, and CO2 emission. As a result, SFFHP can deliver superior benefits for utility cost reduction and CO2 emission reduction over conventional dual fuel heat pump.

Li, Zhenning↗
DOE OSTI2020

Femtosecond photoemission electron microscopy of surface plasmon polariton beam steering via nanohole arrays

Directional control over surface plasmon polariton (SPP) waves is a prerequisite for the development of miniaturized optical circuitry. Here, the efficacy of single and dual component SPP steering elements is explored through photoemission electron microscopy. Our imaging scheme relies on two-color photoemission and counter-propagating SPP generation, which collectively allow SPPs to be visualized in real space. Wave-vector difference mixing between two-dimensional arrays of nanoholes and photon momenta enables SPP steering with directionality governed by the array lattice constant. The magnitude of grating momentum required to achieve counter-propagation guarantees efficient steering over the full range of the negative half-space. In our dual component configuration, separate SPP generation and Bragg diffraction based steering optics are employed. We find that array Bragg planes principally influence the SPP angles through the array band structure, which allows us to visualize both positive and negative refractory waves.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Dual Representations and H ∞ -Optimal Control of Partial Differential Equations

We consider H ∞ -optimal state-feedback control of the class of linear Partial Differential Equations (PDEs) which admit a Partial Integral Equation (PIE) representation. While linear matrix inequalities are commonly used for optimal control of Ordinary Differential Equations (ODEs), the absence of a universal state-space representation and suitable dual form prevents such methods from being applied to optimal control of PDEs. Specifically, for ODEs, the controller synthesis problem is defined in state-space, and duality is used to resolve the bilinearity of that synthesis problem. Recently, the PIE representation was proposed as a universal state-space representation for linear PDE systems. In this paper, we show that any PDE system represented by a PIE admits a dual PIE with identical stability and I/O properties. This result allows us to reformulate the stabilizing and optimal state-feedback control problems as convex optimization over the cone of positive Partial Integral (PI) operators. Operator inversion formulae then allow us to construct feedback gains for the original PDE system. The results are verified through application to several canonical problems in optimal control of PDEs and indicate the resulting bounds on H ∞ norm are not conservative.

42 ENGINEERING↗