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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Linear systematics mitigation in galaxy clustering in the Dark Energy Survey Year 1 Data

ABSTRACT We implement a linear model for mitigating the effect of observing conditions and other sources of contamination in galaxy clustering analyses. Our treatment improves upon the fiducial systematics treatment of the Dark Energy Survey (DES) Year 1 (Y1) cosmology analysis in four crucial ways. Specifically, our treatment (1) does not require decisions as to which observable systematics are significant and which are not, allowing for the possibility of multiple maps adding coherently to give rise to significant bias even if no single map leads to a significant bias by itself, (2) characterizes both the statistical and systematic uncertainty in our mitigation procedure, allowing us to propagate said uncertainties into the reported cosmological constraints, (3) explicitly exploits the full spatial structure of the galaxy density field to differentiate between cosmology-sourced and systematics-sourced fluctuations within the galaxy density field, and (4) is fully automated, and can therefore be trivially applied to any data set. The updated correlation function for the DES Y1 redMaGiC catalogue minimally impacts the cosmological posteriors from that analysis. Encouragingly, our analysis does improve the goodness-of-fit statistic of the DES Y1 3 × 2pt data set (Δχ2 = −6.5 with no additional parameters). This improvement is due in nearly equal parts to both the change in the correlation function and the added statistical and systematic uncertainties associated with our method. We expect the difference in mitigation techniques to become more important in future work as the size of cosmological data sets grows.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Investigation of properties of time-dependent bell inequalities in Wigner’s form for nonstationary and open quantum systems

A radically new class of Bell inequalities in Wigner’s form was obtained on the basis of Kolmorov’s axiomatization of probability theory and the hypothesis of locality. These inequalities take explicitly into account the dependence on time (time-dependent Bell inequalities in Wigner’s form). By using these inequalities, one can propose a means for experimentally testing Bohr’ complementarity principle in the relativistic region. The inequalities in question open broad possibilities for studying correlations of nonrelativistic and relativistic quantum systems in external fields. The violation of the time-dependent inequalities in quantum mechanics was studied by considering the behavior of a pair of anticorrelated spins in a constant external magnetic field and oscillations of neutral pseudoscalar mesons. The decay of a pseudoscalar particle to a fermion–antifermion pair is considered within quantum field theory. In order to test experimentally the inequalities proposed in the present study, it is not necessary to perform dedicated noninvasive measurements required in the Leggett–Garg approach, for example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

DAVIS: A direct algorithm for velocity-map imaging system

Here, we report a direct (non-iterative) algorithm to reconstruct the three-dimensional (3D) momentum-space picture of any charged particles collected with a velocity-map imaging system from the two-dimensional (2D) projected image captured by a position-sensitive detector. The technique consists of fitting the measured image with the 2D projection of a model 3D velocity distribution defined by the physics of the light-matter interaction. The meaningful angle-correlated information is first extracted from the raw data by expanding the image with a complete set of Legendre polynomials. Both the particle’s angular and energy distributions are then directly retrieved from the expansion coefficients. The algorithm is simple, easy to implement, fast, and explicitly takes into account the pixelization effect in the measurement.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Kinetic beaming in radiative relativistic magnetic reconnection: a mechanism for rapid gamma-ray flares in jets

ABSTRACT Rapid gamma-ray flares pose an astrophysical puzzle, requiring mechanisms both to accelerate energetic particles and to produce fast observed variability. These dual requirements may be satisfied by collisionless relativistic magnetic reconnection. On the one hand, relativistic reconnection can energize gamma-ray emitting electrons. On the other hand, as previous kinetic simulations have shown, the reconnection acceleration mechanism preferentially focuses high energy particles – and their emitted photons – into beams, which may create rapid blips in flux as they cross a telescope’s line of sight. Using a series of 2D pair-plasma particle-in-cell simulations, we explicitly demonstrate the critical role played by radiative (specifically inverse Compton) cooling in mediating the observable signatures of this ‘kinetic beaming’ effect. Only in our efficiently cooled simulations do we measure kinetic beaming beyond one light crossing time of the reconnection layer. We find a correlation between the cooling strength and the photon energy range across which persistent kinetic beaming occurs: stronger cooling coincides with a wider range of beamed photon energies. We also apply our results to rapid gamma-ray flares in flat-spectrum radio quasars, suggesting that a paradigm of radiatively efficient kinetic beaming constrains relevant emission models. In particular, beaming-produced variability may be more easily realized in two-zone (e.g. spine-sheath) set-ups, with Compton seed photons originating in the jet itself, rather than in one-zone external Compton scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Failure Predictions for VHTR Core Components using a Probabilistic Contiuum Damage Mechanics Model

The proposed work addresses the key research need for the development of constitutive models and overall failure models for graphite and high temperature structural materials, with the long-term goal being to maximize the design life of the Next Generation Nuclear Plant (NGNP). To this end, the capability of a Continuum Damage Mechanics (CDM) model, which has been used successfully for modeling fracture of virgin graphite, will be extended as a predictive and design tool for the core components of the very high- temperature reactor (VHTR). Specifically, irradiation and environmental effects pertinent to the VHTR will be incorporated into the model to allow fracture of graphite and ceramic components under in-reactor conditions to be modeled explicitly using the finite element method. The model uses a combined stress-based and fracture mechanics-based failure criterion, so it can simulate both the initiation and propagation of cracks. Modern imaging techniques, such as x-ray computed tomography and digital image correlation, will be used during material testing to help define the baseline material damage parameters. Monte Carlo analysis will be performed to address inherent variations in material properties, the aim being to reduce the arbitrariness and uncertainties associated with the current statistical approach. The results can potentially contribute to the current development of American Society of Mechanical Engineers (ASME) codes for the design and construction of VHTR core components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2011

Models including electron correlation in relation to Fock's proposed expansion of the ground-state wave function of He-like atomic ions

Here attention is first drawn to the importance of gaining insight into Fock's early proposal for expanding the ground-state wave function for He-like atomic ions in hyperspherical coordinates. We approach the problem via two solvable models, namely, (i) the s-term model put forth by Temkin [Phys. Rev. 126, 130 (1962)] and (ii) the Hookean atom model proposed by Kestner and Sinanoglu [Phys. Rev. 128, 2687 (1962)]. In both cases the local kinetic energy can be obtained explicitly in hyperspherical coordinates. Separation of variables occurs in both model wave functions, though in a different context in the two cases. Finally, a k-space formulation is proposed that should eventually result in distinctive identifying characteristics of Fock's nonanalyticities for He-like atomic ions when both electrons are close to the nucleus.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The M-theory S-matrix from ABJM: beyond 11D supergravity

We show that by studying the flat spacetime limit of the Mellin amplitude associated with the four-point correlation function of scalar operators in the stress tensor multiplet of ABJM theory, one can produce the momentum expansion of the M-theory four-graviton S-matrix elements. Using CFT data previously obtained from the supersymmetric localization method, we carry out this procedure explicitly to the second nontrivial order in the momentum expansion, and recover precisely the known R 4 contribution to the scattering amplitude of super-gravitons in M-theory in eleven dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Capturing Sub‐Kilometer Flood Inundation Dynamics During the California Rain‐on‐Snow Events of 2017

The severe impacts of rain‐on‐snow (ROS) extreme events have been widely recognized and studied. However, unlike hydrological processes, flood inundation dynamics and the relative contribution of rainfall and snowmelt during ROS events remain under‐investigated. We diagnosed and documented sub‐kilometer spatio‐temporal dynamics of flood inundation during the 2017 California ROS events, simulated by a 2‐dimensional hydrodynamic model, River Dynamical Core (RDycore). RDycore shows good performance in capturing fine‐scale flood inundation dynamics against gauge measurements (with a median correlation coefficient of 0.81) and satellite observations. On top of rainfall, snowmelt not only increases the mean maximum inundation depth (12.0%–25.1%), but also expands the total flooded area (19.9%–31.9%) and prolongs the mean flood duration (3.4%–7.1%) across the events. Our findings offer an explicit and accurate picture of when and where ROS flooding could occur and how snowmelt increases flood hazard, valuable for risk assessment and infrastructure planning.

Flood inundation↗
DOE OSTI2015

Collisional excitation of NH(X{sup 3}Σ{sup −}) by Ne: Potential energy surface, scattering calculations, and comparison with experiments

We present a new three-dimensional potential energy surface (PES) for the NH(X{sup 3}Σ{sup −})–Ne van der Waals system, which explicitly takes into account the NH vibrational motion. Ab initio calculations of the NH–Ne PES were carried out using the open-shell single- and double-excitation coupled cluster approach with non-iterative perturbational treatment of triple excitations [RCCSD(T)]. The augmented correlation-consistent quadruple zeta (aug-cc-pVQZ) basis set was employed. Mid-bond functions were also included in order to improve the accuracy in the van der Waals well. Using this new PES, we have studied the collisional excitation of NH(X{sup 3}Σ{sup −}) by Ne. Close-coupling calculations of the collisional excitation cross sections of the fine-structure levels of NH by Ne are performed for energies up to 3000 cm{sup −1}, which yield, after thermal average, rate coefficients up to 350 K. The propensity rules between fine-structure levels are reported, and it is found that F-conserving cross sections are larger than F-changing cross sections even if the propensity rules are not as strong as for the NH–He system. The calculated rate coefficients are compared with available experimental measurements at room temperature and a fairly good agreement is found between experimental and theoretical data, confirming the good quality of the scattering calculations and also the accuracy of the potential energy surface used in this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Time reversal, SU(N) Yang–Mills and cobordisms: Interacting topological superconductors/insulators and quantum spin liquids in 3+1D

We introduce a web of strongly correlated interacting 3+1D topological superconductors/insulators of 10 particular global symmetry groups of Cartan classes, realizable in electronic condensed matter systems, and their new SU(N) generalizations. The symmetries include SU(N), SU(2), U(1), fermion parity, time reversal and relate to each other through symmetry embeddings. We overview the lattice Hamiltonian formalism. We complete the list of field theories of bulk symmetry-protected topological invariants (SPT invariants/partition functions that exhibit boundary ’t Hooft anomalies) via cobordism calculations, matching their full classification. We also present explicit 4-manifolds that detect these SPTs. On the other hand, once we dynamically gauge part of their global symmetries, we arrive in various new phases of SU(N) Yang–Mills (YM) gauge theories, analogous to quantum spin liquids with emergent gauge fields. We discuss how coupling YM theories to time reversal-SPTs affects the strongly coupled theories at low energy. For example, we point out a possibility of having two deconfined gapless time-reversal symmetric SU(2) YM theories at θ=π as two distinct conformal field theories, which although are secretly indistinguishable by correlators of local operators on orientable spacetimes nor by gapped SPT states, can be distinguished on non-orientable spacetimes or potentially by correlators of extended operators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Incorporating microbial dormancy dynamics into soil decomposition models to improve quantification of soil carbon dynamics of northern temperate forests

Abstract Soil carbon dynamics of terrestrial ecosystems play a significant role in the global carbon cycle. Microbial‐based decomposition models have seen much growth recently for quantifying this role, yet dormancy as a common strategy used by microorganisms has not usually been represented and tested in these models against field observations. Here we developed an explicit microbial‐enzyme decomposition model and examined model performance with and without representation of microbial dormancy at six temperate forest sites of different forest types. We then extrapolated the model to global temperate forest ecosystems to investigate biogeochemical controls on soil heterotrophic respiration and microbial dormancy dynamics at different temporal‐spatial scales. The dormancy model consistently produced better match with field‐observed heterotrophic soil CO 2 efflux ( R H ) than the no dormancy model. Our regional modeling results further indicated that models with dormancy were able to produce more realistic magnitude of microbial biomass (<2% of soil organic carbon) and soil R H (7.5 ± 2.4 Pg C yr −1 ). Spatial correlation analysis showed that soil organic carbon content was the dominating factor (correlation coefficient = 0.4–0.6) in the simulated spatial pattern of soil R H with both models. In contrast to strong temporal and local controls of soil temperature and moisture on microbial dormancy, our modeling results showed that soil carbon‐to‐nitrogen ratio (C:N) was a major regulating factor at regional scales (correlation coefficient = −0.43 to −0.58), indicating scale‐dependent biogeochemical controls on microbial dynamics. Our findings suggest that incorporating microbial dormancy could improve the realism of microbial‐based decomposition models and enhance the integration of soil experiments and mechanistically based modeling.

He, Yujie↗
DOE OSTI2021

Nonlinear Interface Reduction for Time-Domain Analysis of Hurty/Craig-Bampton Superelements with Frictional Contact

Virtual prototyping in engineering design relies today on modern numerical models of contacting structures with accurate resolution of interface mechanics, which strongly affect the system-level stiffness and energy dissipation due to frictional losses. High-fidelity modeling within the localized interfaces is required to resolve local quantities of interest that may drive design decisions. The high-resolution finite element meshes necessary to resolve inter-component stresses tend to be computationally expensive, particularly when the analyst is interested in response time histories. The Hurty/Craig-Bampton (HCB) transformation is a widely used method in structural dynamics for reducing the interior portion of a finite element model while having the ability to retain all nonlinear contact degrees of freedom (DOF) in physical coordinates. These models may still require many DOF to adequately resolve the kinematics of the interface, leading to inadequate reduction and computational savings. This study proposes a novel interface reduction method to overcome these challenges by means of system-level characteristic constraint (SCC) modes and properly orthogonal interface modal derivatives (POIMDs) for transient dynamic analyses. Both SCC modes and POIMDs are computed using the reduced HCB mass and stiffness matrices, which can be directly computed from many commercial finite element analysis software. Comparison of time history responses to an impulse-type load in a mechanical beam assembly indicate that the interface-reduced model correlates well with the HCB truth model. Localized features like slip and contact area are well-represented in the time domain when the beam assembly is loaded with a broadband excitation. The proposed method also yields reduced-order models with greater critical timestep lengths for explicit integration schemes.

42 ENGINEERING↗
DOE OSTI2026

Energy-energy correlators in 𝑒 + ⁢𝑒 − annihilation and deep inelastic scattering

We study energy-energy correlators (EECs) in 𝑒 + ⁢𝑒 − annihilation and deep inelastic lepton-hadron scattering (DIS), focusing on aspects of nonperturbative physics in these observables. We introduce the EEC jet functions and investigate the infrared behavior of both small-angle EECs and angle-integrated EECs by performing explicit one-loop calculations. The factorization and universality of the EECs in these processes are demonstrated. A matching scheme is proposed to smoothly connect kinematic regions where different scaling behaviors with jet energy are observed. In combination with the next-to-leading order correction, this matching provides a good description of the EEC data and pythia simulations in high-energy 𝑒 + ⁢𝑒 − annihilation. Predictions for DIS processes for future electron-ion collider kinematics are also presented.

Guo, Yuxun [Lawrence Berkeley National Laboratory ↗
DOE OSTI2012

Structural changes caused by radiation-induced reduction and radiolysis: the effect of X-ray absorbed dose in a fungal multicopper oxidase

Radiation-induced reduction, radiolysis of copper sites and the effect of pH value together with the concomitant geometrical distortions of the active centres were analysed in several fungal (C. gallica) laccase structures collected at cryotemperature. This study emphasizes the importance of careful interpretation when the crystallographic structure of a metalloprotein is described. X-ray radiation induces two main effects at metal centres contained in protein crystals: radiation-induced reduction and radiolysis and a resulting decrease in metal occupancy. In blue multicopper oxidases (BMCOs), the geometry of the active centres and the metal-to-ligand distances change depending on the oxidation states of the Cu atoms, suggesting that these alterations are catalytically relevant to the binding, activation and reduction of O{sub 2}. In this work, the X-ray-determined three-dimensional structure of laccase from the basidiomycete Coriolopsis gallica (Cg L), a high catalytic potential BMCO, is described. By combining spectroscopic techniques (UV–Vis, EPR and XAS) and X-ray crystallography, structural changes at and around the active copper centres were related to pH and absorbed X-ray dose (energy deposited per unit mass). Depletion of two of the four active Cu atoms as well as low occupancies of the remaining Cu atoms, together with different conformations of the metal centres, were observed at both acidic pH and high absorbed dose, correlating with more reduced states of the active coppers. These observations provide additional evidence to support the role of flexibility of copper sites during O{sub 2} reduction. This study supports previous observations indicating that interpretations regarding redox state and metal coordination need to take radiation effects explicitly into account.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Structure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical pore

We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T − ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Projecting species’ vulnerability to climate change: Which uncertainty sources matter most and extrapolate best?

Species distribution models (SDMs) are commonly used to assess potential climate change impacts on biodiversity, but several critical methodological decisions are often made arbitrarily. We compare variability arising from these decisions to the uncertainty in future climate change itself. We also test whether certain choices offer improved skill for extrapolating to a changed climate and whether internal cross-validation skill indicates extrapolative skill.We compared projected vulnerability for 29 wetland-dependent bird species breeding in the climatically dynamic Prairie Pothole Region, USA. For each species we built 1,080 SDMs to represent a unique combination of: future climate, class of climate covariates, collinearity level, and thresholding procedure. We examined the variation in projected vulnerability attributed to each uncertainty source. To assess extrapolation skill under a changed climate, we compared model predictions with observations from historic drought years. Uncertainty in projected vulnerability was substantial, and the largest source was that of future climate change. Large uncertainty was also attributed to climate covariate class with hydrological covariates projecting half the range loss of bioclimatic covariates or other summaries of temperature and precipitation. We found that choices based on performance in cross-validation improved skill in extrapolation. Qualitative rankings were also highly uncertain. Given uncertainty in projected vulnerability and resulting uncertainty in rankings used for conservation prioritization, a number of considerations appear critical for using bioclimatic SDMs to inform climate change mitigation strategies. Our results emphasize explicitly selecting climate summaries that most closely represent processes likely to underlie ecological response to climate change. For example, hydrological covariates projected substantially reduced vulnerability, highlighting the importance of considering whether water availability may be a more proximal driver than precipitation. However, because cross-validation results were correlated with extrapolation results, the use of cross-validation performance metrics to guide modeling choices where knowledge is limited was supported.

thresholds↗
DOE OSTI2017

Thermal out-of-time-order correlators, KMS relations, and spectral functions

We describe general features of thermal correlation functions in quantum systems, with specific focus on the fluctuation-dissipation type relations implied by the KMS condition. These end up relating correlation functions with different time ordering and thus should naturally be viewed in the larger context of out-of-time-ordered (OTO) observables. In particular, eschewing the standard formulation of KMS relations where thermal periodicity is combined with time-reversal to stay within the purview of Schwinger-Keldysh functional integrals, we show that there is a natural way to phrase them directly in terms of OTO correlators. We use these observations to construct a natural causal basis for thermal n-point functions in terms of fully nested commutators. We provide several general results which can be inferred from cyclic orbits of permutations, and exemplify the abstract results using a quantum oscillator as an explicit example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗