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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

A Natural Language for AdS/CFT Correlators

We provide dramatic evidence that 'Mellin space' is the natural home for correlation functions in CFTs with weakly coupled bulk duals. In Mellin space, CFT correlators have poles corresponding to an OPE decomposition into 'left' and 'right' sub-correlators, in direct analogy with the factorization channels of scattering amplitudes. In the regime where these correlators can be computed by tree level Witten diagrams in AdS, we derive an explicit formula for the residues of Mellin amplitudes at the corresponding factorization poles, and we use the conformal Casimir to show that these amplitudes obey algebraic finite difference equations. By analyzing the recursive structure of our factorization formula we obtain simple diagrammatic rules for the construction of Mellin amplitudes corresponding to tree-level Witten diagrams in any bulk scalar theory. We prove the diagrammatic rules using our finite difference equations. Finally, we show that our factorization formula and our diagrammatic rules morph into the flat space S-Matrix of the bulk theory, reproducing the usual Feynman rules, when we take the flat space limit of AdS/CFT. Throughout we emphasize a deep analogy with the properties of flat space scattering amplitudes in momentum space, which suggests that the Mellin amplitude may provide a holographic definition of the flat space S-Matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Electron correlation within the relativistic no-pair approximation

This paper addresses the definition of correlation energy within 4-component relativistic atomic and molecular calculations. In the nonrelativistic domain the correlation energy is defined as the difference between the exact eigenvalue of the electronic Hamiltonian and the Hartree-Fock energy. In practice, what is reported is the basis set correlation energy, where the “exact” value is provided by a full Configuration Interaction (CI) calculation with some specified one-particle basis. The extension of this definition to the relativistic domain is not straightforward since the corresponding electronic Hamiltonian, the Dirac-Coulomb Hamiltonian, has no bound solutions. Present-day relativistic calculations are carried out within the no-pair approximation, where the Dirac-Coulomb Hamiltonian is embedded by projectors eliminating the troublesome negative-energy solutions. Hartree-Fock calculations are carried out with the implicit use of such projectors and only positive-energy orbitals are retained at the correlated level, meaning that the Hartree-Fock projectors are frozen at the correlated level. We argue that the projection operators should be optimized also at the correlated level and that this is possible by full Multiconfigurational Self-Consistent Field (MCSCF) calculations, that is, MCSCF calculations using a no-pair full CI expansion, but including orbital relaxation from the negative-energy orbitals. We show by variational perturbation theory that the MCSCF correlation energy is a pure MP2-like correlation expression, whereas the corresponding CI correlation energy contains an additional relaxation term. We explore numerically our theoretical analysis by carrying out variational and perturbative calculations on the two-electron rare gas atoms with specially tailored basis sets. In particular, we show that the correlation energy obtained by the suggested MCSCF procedure is smaller than the no-pair full CI correlation energy, in accordance with the underlying minmax principle and our theoretical analysis. We also show that the relativistic correlation energy, obtained from no-pair full MCSCF calculations, scales at worst as X{sup −2} with respect to the cardinal number X of our correlation-consistent basis sets optimized for the two-electron atoms. This is better than the X{sup −1} scaling suggested by previous studies, but worse than the X{sup −3} scaling observed in the nonrelativistic domain. The well-known 1/Z- expansion in nonrelativistic atomic theory follows from coordinate scaling. We point out that coordinate scaling for consistency should be accompanied by velocity scaling. In the nonrelativistic domain this comes about automatically, whereas in the relativistic domain an explicit scaling of the speed of light is required. This in turn explains why the relativistic correlation energy to the lowest order is not independent of nuclear charge, in contrast to nonrelativistic theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Radiative Corrections to Neutron Beta Decay and (Anti)Neutrino-Nucleon Scattering from Low-Energy Effective Field Theory

Herein we study radiative corrections to neutron beta decay and low-energy (anti)neutrino-nucleon scattering within a top-down effective field theory approach. As it was recently shown, a few electromagnetic and electroweak low-energy coupling constants in heavy-baryon chiral perturbation theory are yet to be determined. Performing matching to the four-fermion effective field theory, we relate these low-energy constants to correlation functions of vector and axial-vector currents. Such relations allow us to explicitly clarify scheme dependence for radiative corrections to neutron decay and low-energy charged-current (anti)neutrino scattering, provide a robust prediction of leading in the electromagnetic coupling constant contributions, and achieve a clear separation between short-distance and long-distance contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Nonlinear scattering term in the gyrokinetic Vlasov equation

Nonlinear scattering term is found from the nonlinear gyrokinetic equation by decoupling the perturbed gyrocenter motion from the unperturbed motion. The gyro-center distribution function is determined by the well-understood unperturbed motion, with the effects of fields perturbation included in the nonlinear scattering term, which explicitly reveals the nonlinear stochastic dissipation on the time scale longer than the wave correlation time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Quantum spin liquids bootstrapped from Ising criticality in Rydberg arrays

Arrays of Rydberg atoms constitute a highly tunable, strongly interacting venue for the pursuit of exotic states of matter. We develop a strategy for accessing a family of fractionalized phases known as quantum spin liquids in two-dimensional Rydberg arrays. We specifically use effective field theory methods to study arrays assembled from Rydberg chains tuned to an Ising phase transition that famously hosts emergent fermions propagating within each chain. This highly entangled starting point allows us to naturally access spin liquids familiar from Kitaev's honeycomb model—albeit from an entirely different framework. In particular, we argue that finite-range repulsive Rydberg interactions, which frustrate nearby symmetry-breaking orders, can enable coherent propagation of emergent fermions between the chains in which they were born. Delocalization of emergent fermions across the full two-dimensional Rydberg array yields a gapless Z 2 spin liquid with a single massless Dirac cone. Here, the Rydberg occupation numbers exhibit universal power-law correlations that provide a straightforward experimental diagnostic of this phase. We further show that explicitly breaking symmetries perturbs the gapless spin liquid into gapped, topologically ordered descendants: Breaking lattice symmetries generates toric-code topological order, whereas introducing Floquet-mediated chirality generates non-Abelian Ising topological order. In the toric-code phase, we analytically construct microscopic incarnations of non-Abelian defects, which can be created and transported by dynamically controlling the atom positions in the array. Our work suggests that appropriately tuned Rydberg arrays provide a cold-atoms counterpart of solid-state “Kitaev materials” and, more generally, it spotlights a different angle for pursuing experimental platforms for Abelian and non-Abelian fractionalization.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Supersymmetric Virasoro minimal strings

A random matrix model definition of a family of N = 1 supersymmetric extensions of the Virasoro minimal string of Collier, Eberhardt, Mühlmann, and Rodriguez is presented. An analysis of the defining string equations shows that the models all naturally have unambiguous nonperturbative completions, which are explicitly supplied by the double-scaled orthogonal polynomial techniques employed. Perturbatively, the multiloop correlation functions of the model define a special supersymmetric class of “quantum volumes,” generalizing the prototype case, some of which are computed. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2026

Heterogeneous Multi-Domain Dataset Synthesis to Facilitate Privacy and Risk Assessments in Smart City IoT

The emergence of the Smart Cities paradigm and the rapid expansion and integration of Internet of Things (IoT) technologies within this context have created unprecedented opportunities for high-resolution behavioral analytics, urban optimization, and context-aware services. However, this same proliferation intensifies privacy risks, particularly those arising from cross-modal data linkage across heterogeneous sensing platforms. To address these challenges, this paper introduces a comprehensive, statistically grounded framework for generating synthetic, multimodal IoT datasets tailored to Smart City research. The framework produces behaviorally plausible synthetic data suitable for preliminary privacy risk assessment and as a benchmark for future re-identification studies, as well as for evaluating algorithms in mobility modeling, urban informatics, and privacy-enhancing technologies. As part of our approach, we formalize probabilistic methods for synthesizing three heterogeneous and operationally relevant data streams—cellular mobility traces, payment terminal transaction logs, and Smart Retail nutrition records—capturing the behaviors of a large number of synthetically generated urban residents over a 12-week period. The framework integrates spatially explicit merchant selection using K-Dimensional (KD)-tree nearest-neighbor algorithms, temporally correlated anchor-based mobility simulation reflective of daily urban rhythms, and dietary-constraint filtering to preserve ecological validity in consumption patterns. In total, the system generates approximately 116 million mobility pings, 5.4 million transactions, and 1.9 million itemized purchases, yielding a reproducible benchmark for evaluating multimodal analytics, privacy-preserving computation, and secure IoT data-sharing protocols. To show the validity of this dataset, the underlying distributions of these residents were successfully validated against reported distributions in published research. We present preliminary uniqueness and cross-modal linkage indicators; comprehensive re-identification benchmarking against specific attack algorithms is planned as future work. This framework can be easily adapted to various scenarios of interest in Smart Cities and other IoT applications. By aligning methodological rigor with the operational needs of Smart City ecosystems, this work fills critical gaps in synthetic data generation for privacy-sensitive domains, including intelligent transportation systems, urban health informatics, and next-generation digital commerce infrastructures.

IoT↗
DOE OSTI2025

Common femtoscopic hadron-emission source in pp collisions at the LHC

The femtoscopic study of pairs of identical pions is particularly suited to investigate the effective source function of particle emission, due to the resulting Bose–Einstein correlation signal. In small collision systems at the LHC, pp in particular, the majority of the pions are produced in resonance decays, which significantly affect the profile and size of the source. In this work, we explicitly model this effect in order to extract the primordial source in pp collisions at $\sqrt{s}$ = 13 TeV from charged π–π correlations measured by ALICE. We demonstrate that the assumption of a Gaussian primordial source is compatible with the data and that the effective source, resulting from modifications due to resonances, is approximately exponential, as found in previous measurements at the LHC. The universality of hadron emission in pp collisions is further investigated by applying the same methodology to characterize the primordial source of K–p pairs. The size of the primordial source is evaluated as a function of the transverse mass (m T ) of the pairs, leading to the observation of a common scaling for both π–π and K–p, suggesting a collective effect. Further, the present results are compatible with the m T scaling of the p–p and p–Λ primordial source measured by ALICE in high multiplicity pp collisions, providing additional evidence for the presence of a common emission source for all hadrons in small collision systems at the LHC. This will allow the determination of the source function for any hadron–hadron pairs with high precision, granting access to the properties of the possible final-state interaction among pairs of less abundantly produced hadrons, such as strange or charmed particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Explicit modeling of abiotic and landscape factors reveals precipitation and forests associated with aphid abundance

Abstract Increases in natural or noncrop habitat surrounding agricultural fields have been shown to be correlated with declines in insect crop pests. However, these patterns are highly variable across studies suggesting other important factors, such as abiotic drivers, which are rarely included in landscape models, may also contribute to variability in insect population abundance. The objective of this study was to explicitly account for the contribution of temperature and precipitation, in addition to landscape composition, on the abundance of a widespread insect crop pest, the soybean aphid ( Aphis glycines Matsumura), in Wisconsin soybean fields. We hypothesized that higher soybean aphid abundance would be associated with higher heat accumulation (e.g., growing degree days) and increasing noncrop habitat in the surrounding landscape, due to the presence of the overwintering primary hosts of soybean aphid. To evaluate these hypotheses, we used an ecoinformatics approach that relied on a large dataset collected across Wisconsin over a 9‐year period (2003–2011), for an average of 235 sites per year ( n = 2,110 fields total). We determined surrounding landscape composition (1.5‐km radius) using publicly available satellite‐derived land cover imagery and interpolated daily temperature and precipitation information from the National Weather Service COOP weather station network. We constructed linear mixed models for soybean aphid abundance based on abiotic and landscape explanatory variables and applied model averaging for prediction using an information theoretic framework. Over this broad spatial and temporal extent in Wisconsin, we found that variation in growing season precipitation was positively related to soybean aphid abundance, while higher precipitation during the nongrowing season had a negative effect on aphid populations. Additionally, we found that aphid populations were higher in areas with proportionally more forest but were lower in areas where minor crops, such as small grains, were more prevalent. Thus, our findings support our hypothesis that including abiotic drivers increases our understanding of crop pest abundance and distribution. Moreover, by explicitly modeling abiotic factors, we may be able to explore how variable climate in tandem with land cover patterns may affect current and future insect populations, with potentially critical implications for crop yields and agricultural food webs.

Stack Whitney, Kaitlin↗
DOE OSTI2012

A METHOD TO EXTRACT THE REDSHIFT DISTORTION {beta} PARAMETER IN CONFIGURATION SPACE FROM MINIMAL COSMOLOGICAL ASSUMPTIONS

We present a method to extract the redshift-space distortion {beta} parameter in configuration space with a minimal set of cosmological assumptions. We show that a novel combination of the observed monopole and quadrupole correlation functions can remove efficiently the impact of mild nonlinearities and redshift errors. The method offers a series of convenient properties: it does not depend on the theoretical linear correlation function, the mean galaxy density is irrelevant, only convolutions are used, and there is no explicit dependence on linear bias. Analyses based on dark matter N-body simulations and Fisher matrix demonstrate that errors of a few percent on {beta} are possible with a full-sky, 1 (h {sup -1} Gpc){sup 3} survey centered at a redshift of unity and with negligible shot noise. We also find a baryonic feature in the normalized quadrupole in configuration space that should complicate the extraction of the growth parameter from the linear theory asymptote, but that does not have a major impact on our method.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Parallel continuous simulated tempering and its applications in large-scale molecular simulations

In this paper, we introduce a parallel continuous simulated tempering (PCST) method for enhanced sampling in studying large complex systems. It mainly inherits the continuous simulated tempering (CST) method in our previous studies [C. Zhang and J. Ma, J. Chem. Phys. 130, 194112 (2009); C. Zhang and J. Ma, J. Chem. Phys. 132, 244101 (2010)], while adopts the spirit of parallel tempering (PT), or replica exchange method, by employing multiple copies with different temperature distributions. Differing from conventional PT methods, despite the large stride of total temperature range, the PCST method requires very few copies of simulations, typically 2–3 copies, yet it is still capable of maintaining a high rate of exchange between neighboring copies. Furthermore, in PCST method, the size of the system does not dramatically affect the number of copy needed because the exchange rate is independent of total potential energy, thus providing an enormous advantage over conventional PT methods in studying very large systems. The sampling efficiency of PCST was tested in two-dimensional Ising model, Lennard-Jones liquid and all-atom folding simulation of a small globular protein trp-cage in explicit solvent. The results demonstrate that the PCST method significantly improves sampling efficiency compared with other methods and it is particularly effective in simulating systems with long relaxation time or correlation time. We expect the PCST method to be a good alternative to parallel tempering methods in simulating large systems such as phase transition and dynamics of macromolecules in explicit solvent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The separate universe approach to soft limits

We develop a formalism for calculating soft limits of n -point inflationary correlation functions using separate universe techniques. Our method naturally allows for multiple fields and leads to an elegant diagrammatic approach. As an application we focus on the trispectrum produced by inflation with multiple light fields, giving explicit formulae for all possible single- and double-soft limits. We also investigate consistency relations and present an infinite tower of inequalities between soft correlation functions which generalise the Suyama-Yamaguchi inequality.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Thermodynamic modeling of aqueous acetic acid, butyric acid, and lactic acid solutions

Based on the activity coefficient – fugacity coefficient approach, a rigorous thermodynamic modeling study is presented for accurate correlation of vapor-liquid equilibrium data of aqueous solutions of acetic acid (293 to 391 K), butyric acid (325 to 436 K), lactic acid (378 to 409 K), and acetic acid + butyric acid binary mixture (358 to 421 K). In addition, the pH data of the three aqueous, single carboxylic acid solutions were measured at 298 to 328 K and successfully correlated. Given that these aqueous carboxylic acid solutions exhibit various degrees of association behavior in both vapor and liquid phases, the thermodynamic models considered for this study include the Redlich-Kwong equation of state (RK-EoS) and the Hayden-O’Connell equation of state (HOC-EoS) for the vapor phase fugacity coefficients and the electrolyte non-random two-liquid model (eNRTL) and the association electrolyte non-random two-liquid model (AeNRTL) for the liquid phase activity coefficients. The combination of the HOC-EoS for the vapor phase and the AeNRTL model for the liquid phase is found to provide the best correlation results, consistent with the fact that the HOC-EoS and the AeNRTL model explicitly account for association behaviors in the vapor phase and the liquid phase, respectively.

09 BIOMASS FUELS↗
DOE OSTI2026

Machine Learning for Mapping Multipactor Susceptibility in RF Systems: Capabilities and Generalization Constraints

Multipactor is a surface-driven electron avalanche phenomenon that degrades the performance and reliability of radio-frequency (RF) systems in particle accelerator and vacuum electronics applications. Multipactor behavior in a given device structure is conventionally assessed through susceptibility charts, which provide a parameter-space characterization of the instability. In this work, we assess the capabilities of machine-learning (ML) models to learn and predict such susceptibility charts and analyze the constraints governing their generalization across materials. Using a simulation-derived dataset spanning six distinct secondary-electron-yield material profiles in a canonical two-surface planar geometry, we train supervised regression models and artificial neural networks to predict the time-averaged electron growth rate, δavg, across the relevant parameter space. Model performance is evaluated using metrics that explicitly probe the structure of susceptibility charts, including Intersection over Union, Structural Similarity Index, and correlation analysis. Tree-based ensemble models outperform neural-network models in reconstructing susceptibility regions and in generalizing across material domains. Principal-component analysis reveals disjoint material feature distributions, indicating that the piecewise mode structure of multipactor susceptibility is difficult to represent with a single global model and that generalization is constrained by data coverage rather than by model complexity. An exhaustive reduced-coverage study further shows that sparse material-space coverage can yield mean performance in the same general range but producing large variability in the susceptibility-region overlap. These results clarify the capabilities of ML-based surrogate models for parameter-space characterization of multipactor discharge. They also provide guidance for their appropriate use in RF system design.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

A Model for Joint Probabilistic Forecast of Solar Photovoltaic Power and Outdoor Temperature

In this paper, a stochastic model is proposed for a joint statistical description of solar photovoltaic (PV) power and outdoor temperature. The underlying correlation emerges from solar irradiance that is responsible in part for both the variability in solar PV power and temperature. The proposed model can be used to capture the uncertainty in solar PV power and its correlation with the electric power consumption of thermostatically controlled loads. First, a model for solar PV power that explicitly incorporates the stochasticity due to clouds via a regime-switching process between the three classes of sunny , overcast and partly cloudy is proposed. Then, the relationship between temperature and solar power is postulated using a second-order Volterra model. This joint modeling is leveraged to develop a joint probabilistic forecasting method for solar PV power and temperature. Real-world datasets that include solar PV power and temperature measurements in California are analyzed and the effectiveness of the joint model in providing probabilistic forecasts is verified. The proposed forecasting methodology outperforms several reference methods thus portraying that the underlying correlation between temperature and solar PV power is well defined and only requires a simple lower-complexity sampling space.

14 SOLAR ENERGY↗
DOE OSTI2016

The role of correlation and solvation in ion interactions with B-DNA

Ionic atmosphere around nucleic acids plays important roles in biological function. Large-scale explicit solvent simulations coupled to experimental assays such as anomalous small-angle X-ray scattering (ASAXS) can provide important insights into the structure and energetics of the ionic atmosphere but are time- and resource-intensive. In this paper, we demonstrate the use of classical density functional theory to model DNA-ion interactions and explore the balance between ion-DNA, ion-water, and ion-ion interactions. In particular, we compute the distribution of RbCl, SrCl2, and CoHexCl3 (cobalt hexammine chlo- ride) around a B-form DNA molecule. The accuracy of the DFT calculations was assessed by comparison between simulated and experimental ASAXS curves. As expected, these calculations revealed significant differences between the monovalent, divalent, and trivalent cations. About half of the DNA-bound Rb+ ions penetrate into the minor groove of the DNA and half adsorb on the DNA strands. The fraction of cations in the minor groove decreases for the larger Sr2+ ions and becomes zero for CoHex3+ ions, which all adsorb on the DNA strands. The distribution of CoHex3+ ions is mainly determined by Coulomb interactions, while ion-correlation forces play a central role in the monovalent Rb+ distribution and a combination of ion-correlation and hydration forces affect the Sr2+ distribution around DNA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Degenerate operators and the 1/c expansion: Lorentzian resummations, high order computations, and super-Virasoro blocks

Here, one can obtain exact information about Virasoro conformal blocks by analytically continuing the correlators of degenerate operators. We argued in recent work that this technique can be used to explicitly resolve information loss problems in AdS 3 /CFT 2 . In this paper we use the technique to perform calculations in the small 1/c ∝ GN expansion: (1) we prove the all-orders resummation of logarithmic factors ∝1/clog z in the Lorentzian regime, demonstrating that 1/c corrections directly shift Lyapunov exponents associated with chaos, as claimed in prior work, (2) we perform another all-orders resummation in the limit of large c with fixed cz, interpolating between the early onset of chaos and late time behavior, (3) we explicitly compute the Virasoro vacuum block to order 1/c 2 and 1/c 3 with external dimensions fixed, corresponding to 2 and 3 loop calculations in AdS 3 , and (4) we derive the heavy-light vacuum blocks in theories with N = 1, 2 superconformal symmetry.

1/N expansion↗