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Results for “explicit correlation”

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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Momentum imaging spectrometer for molecular fragmentation dynamics induced by pulsed electron beam

A momentum imaging spectrometer has been built for studying the electron impact molecular fragmentation dynamics. The setup consists of a pulsed electron gun and a time of flight system as well as a two-dimensional time and position sensitive multi-hit detector. The charged fragments with kinetic energy up to 10 eV can be detected in 4π solid angles and their three-dimensional momentum vectors can be reconstructed. The apparatus is tested by electron impact ionization of Ar and dissociative ionization of CO{sub 2}. By analyzing the ion-ion coincidence spectra, the complete and incomplete Coulomb fragmentation channels for CO{sub 2}{sup 2+} and CO{sub 2}{sup 3+} are identified. The kinetic energy release (KER) and angular correlation for the two-body breakup channel CO{sub 2}{sup 2+*}→ O{sup +}+ CO{sup +} are reported. The peak value of total KER is found to be 6.8 eV which is consistent with the previous photoion-photoion coincidence studies, and the correlation angle of O{sup +} and CO{sup +} is also explicitly determined to be 172.5°.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Quantum correlations in non-inertial cavity systems

Non-inertial cavities are utilized to store and send Quantum Information between mode pairs. A two-cavity system is considered where one is inertial and the other accelerated in a finite time. Maclaurian series are applied to expand the related Bogoliubov coefficients and the problem is treated perturbatively. It is shown that Quantum Discord, which is a measure of quantumness of correlations, is degraded periodically. This is almost in agreement with previous results reached in accelerated systems where increment of acceleration decreases the degree of quantum correlations. As another finding of the study, it is explicitly shown that degradation of Quantum Discord disappears when the state is in a single cavity which is accelerated for a finite time. This feature makes accelerating cavities useful instruments in Quantum Information Theory. - Highlights: • Non-inertial cavities are utilized to store and send information in Quantum Information Theory. • Cavities include boundary conditions which will protect the entanglement once it has been created. • The problem is treated perturbatively and the maclaurian series are applied to expand the related Bogoliubov coefficients. • When two cavities are considered degradation in the degree of quantum correlation happens and it appears periodically. • The interesting issue is when a single cavity is studied and the degradation in quantum correlations disappears.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Reduced-Order CFD Modeling to Support Waste Loading Optimization in Hanford WTP Vitrification

The U.S. DOE Hanford Site stores over 56 million gallons of radioactive liquid tank waste that must be treated and immobilized for long-term disposal The Waste Treatment and Immobilization Plant (WTP) will vitrify this waste by feeding it into Joule-heated melters, where it is incorporated into a stable borosilicate glass Computational fluid dynamics (CFD) simulations of glass melters can provide insight into the maximum achievable waste loading under varying melter operating conditions Fully resolved VOF multiphase simulations were used as the reference model to capture bubble-driven convection in the melter, including bubble formation, rise behavior, and induced glass melt circulation Effective bubble column diameter and rise velocity were extracted from the resolved simulations, compared with empirical correlations, and refit across relevant viscosity and gas flow rate conditions Explicit gas–liquid interface tracking was replaced with a single-phase momentum source term model, enabling faster steady-state CFD simulations while preserving the dominant hydrodynamic effects of bubbling New empirical correlations were developed for effective bubble column diameter and bubble rise velocity by fitting resolved simulation data across expected melter viscosity and gas flow rate ranges, providing improved inputs for the momentum source term model compared with existing literature correlations The momentum source term model reduced fluid-domain mesh size by 89% and achieved an 8.4× computational speedup relative to resolved bubbling simulations The validated momentum source term approach enables prediction of process-relevant heat transfer behavior in the integrated melter model, including heat transfer from the molten glass to the cold cap, plenum, refractory walls, and surrounding structural regions under varying melter operating conditions

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗
DOE OSTI2020

Impact of Individual Structural Defects in GaAs Solar Cells: A Correlative and In Operando Investigation of Signatures, Structures, and Effects

Defects usually degrade device performance. Thus, many techniques and effort are devoted to studying semiconductor defects. However, it is rarely known: i) how individual defects affect device performance; ii) how the impact depends on the device operating conditions; iii) how the impact varies from one defect to another; and iv) how these variations are correlated to the microscopic-scale defect structure. To address these crucial questions, an array of correlative and spatially resolved techniques, including electroluminescence, photoluminescence, Raman, I–V characteristics, and high-resolution electron microscopy, are used to characterize dislocation defects in GaAs solar cells. Significantly, the study is carried out in a series mode and in operando. This approach provides quantitative and definitive correlation between the atomistic structure of defects and their explicit effects on device performance, thus giving unprecedented insight into defect physics.

dislocation defects↗
DOE OSTI2024

Cellular Phosphate Sensing and Anion Binding by an Azacrown‐Calixpyrrole Hybrid

A hybrid receptor-sensor for anions originating from the merging of positively charged ammonium moieties for electrostatic attraction/stronger binding of azacrowns with directionality of calixpyrrole hydrogen bond donors for selectivity is investigated. As demonstrated this hybrid receptor-sensor shows a remarkable selectivity for orthophosphate even in the presence of other phosphates and anions found in cellular materials (K assoc H 2 PO 4 − >H 2 P 2 O 7 2− >AMP − ≫ADP 2− or ATP 3− over halides, nitrate, or hydrogen sulfate; all Na + salts in water) but also cellular polyphosphate or phospholipids. This selectivity is harnessed in a real-time monitoring of cell lysis by lysozyme, which releases orthophosphate and other phosphates and anions from the cells. This sensitive (LOD 0.4 μM) fluorescence-based microscale method compares favorably with the state-of-the-art techniques but can easily be practiced in a high-throughput screening (HTS) manner. The anion binding and selectivity in aqueous solutions were investigated by NMR and put in context with phosphate binding of the parent calix[4]pyrrole. The microscopic understanding of anion binding by the hybrid receptor was then obtained from a combination of density functional theory (DFT), classical molecular dynamics (MD) with explicit water solvation, and ab initio MD (AIMD) simulations. Correlating the NMR and fluorescence binding data with studies of solvation of the receptor, phosphate anion, and the resulting complex confirms the binding is largely driven by entropic component (TΔS) associated with receptor and anion desolvation.

Anions↗
DOE OSTI2026

Evaluating ecosystem water use efficiency under drought stress: a case study of the Helan Mountain region, northwest China

Context Water use efficiency (WUE) is a fundamental ecological indicator links carbon assimilation and water loss in terrestrial ecosystems. Understanding its responses to drought stress is essential for adaptive ecosystem management, particularly in climate-sensitive mountain landscapes. Objectives This study aimed to investigate drought-driven variations in WUE across major vegetation types in the Helan Mountain region of Northwest China. Specifically, we sought to identify dominant ecological drivers of WUE variability and to disentangle their relative importance and causal pathways. Methods We quantified WUE using the Moderate Resolution Imaging Spectroradiometer (MODIS) products and the Drought Severity Index (DSI) data from 2001 to 2020. To examine WUE – drought relationships across contrasting vegetation types, we employed a spatially explicit analytical framework integrating Random Forest (RF) modeling, partial correlation analysis, and structural equation modeling (SEM). Results Regional WUE exhibited relatively stable interannual dynamics, yet pronounced spatial heterogeneity that was strongly modulated by drought conditions. Vegetation properties, particularly Leaf Area Index (LAI) and Normalized Difference Vegetation Index (NDVI), emerged as the dominant determinants of WUE, with NDVI alone explaining over 20% of its spatial variance in forest and grassland during non-drought periods. SEM analyses revealed that climate forcing influenced WUE mainly through indirect pathways mediated by soil moisture availability and vegetation structural dynamics, rather than through direct climatic controls. Among all regulating factors, LAI acted as the central control node governing ecosystem carbon–water coupling. In contrast, short-term climatic stress, especially atmospheric demand and drought duration, exerted weak or negative direct effects on WUE. Ecosystem-specific responses were observed, with croplands mainly regulated by soil water availability, whereas forests and grasslands showed more sensitive to atmospheric drought stress. Together, these results reveal a hierarchical control framework where soil–vegetation interactions mediate climate impacts on WUE, driving strong spatial heterogeneity in drought responses across mountain landscapes. Conclusions Our findings highlight the pivotal role of indirect drought effects mediated by vegetation and soil processes in shaping ecosystem WUE. The identified soil–vegetation–climate regulatory hierarchy provides mechanistic insight into landscape–scale drought sensitivity and supports integrated modeling approaches for evaluating ecosystem resilience and sustainable management in arid mountain regions.

China↗
DOE OSTI2012

A new perspective on dark energy modeling via genetic algorithms

We use Genetic Algorithms to extract information from several cosmological probes, such as the type Ia supernovae (SnIa), the Baryon Acoustic Oscillations (BAO) and the growth rate of matter perturbations. This is done by implementing a model independent and bias-free reconstruction of the various scales and distances that characterize the data, like the luminosity d{sub L}(z) and the angular diameter distance d{sub A}(z) in the SnIa and BAO data, respectively, or the dependence with redshift of the matter density Ω{sub m}(a) in the growth rate data, fσ{sub 8}(z). These quantities can then be used to reconstruct the expansion history of the Universe, and the resulting Dark Energy (DE) equation of state w(z) in the context of FRW models, or the mass radial function Ω{sub M}(r) in LTB models. In this way, the reconstruction is completely independent of our prior bias. Furthermore, we use this method to test the Etherington relation, ie the well-known relation between the luminosity and the angular diameter distance, η≡d{sub L}(z)/(1+z){sup 2}d{sub A}(z), which is equal to 1 in metric theories of gravity. We find that the present data seem to suggest a 3-σ deviation from one at redshifts z ∼ 0.5. Finally, we present a novel way, within the Genetic Algorithm paradigm, to analytically estimate the errors on the reconstructed quantities by calculating a Path Integral over all possible functions that may contribute to the likelihood. We show that this can be done regardless of the data being correlated or uncorrelated with each other and we also explicitly demonstrate that our approach is in good agreement with other error estimation techniques like the Fisher Matrix approach and the Bootstrap Monte Carlo.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Nonequilibrium chiral fluid dynamics including dissipation and noise

We present a consistent theoretical approach for the study of nonequilibrium effects in chiral fluid dynamics within the framework of the linear {sigma} model with constituent quarks. Treating the quarks as an equilibrated heat bath, we use the influence functional formalism to obtain a Langevin equation for the {sigma} field. This allows us to calculate the explicit form of the damping coefficient and the noise correlators. For a self-consistent derivation of both the dynamics of the {sigma} field and the quark fluid, we have to employ the 2PI (two-particle irreducible) effective action formalism. The energy dissipation from the field to the fluid is treated in the exact formalism of the 2PI effective action where a conserved energy-momentum tensor can be constructed. We derive its form and comment on approximations generating additional terms in the energy-momentum balance of the entire system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Energy transfer in reconnection and turbulence

Reconnection and turbulence are two of the most commonly observed dynamical processes in plasmas, but their relationship is still not fully understood. Using 2.5D kinetic particle-in-cell simulations of both strong turbulence and reconnection, we compare the cross-scale transfer of energy in the two systems by analyzing the generalization of the von Kármán Howarth equations for Hall magnetohydrodynamics, a formulation that subsumes the third-order law for steady energy transfer rates. Even though the large scale features are quite different, the finding is that the decomposition of the energy transfer is structurally very similar in the two cases. In the reconnection case, the time evolution of the energy transfer also exhibits a correlation with the reconnection rate. Finally, these results provide explicit evidence that reconnection dynamics fundamentally involves turbulence-like energy transfer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A refined assessment of nuclear data target accuracy requirements for ALFRED

The interest in target accuracy assessment has been recently renewed within the OECD/NEA Working Party on International Nuclear Data Evaluation Cooperation with an update exercise, thanks to the invaluable initiative of Massimo Salvatores. This work, moving from evaluations on the main core integral parameters of the Advanced Lead-cooled Fast Reactor European Demonstrator (ALFRED), and the identification of the associated target accuracies needed for improving its design, approaches the retrieval of target accuracy requirements for nuclear data, as the inverse problem of uncertainty quantification. The preliminary results obtained in a previous work are here refined by explicitly taking into account the total contribution due to correlations among variables in the optimization constraint, while its various components are evaluated individually. Moreover, three different sets of cost parameters are considered to introduce a bias in the solution in order to take in due account the relative difficulties in the execution of new differential experiments as needed for achieving the proposed target accuracies. By this, the obtained results are deemed usefully informative, and proposed for the update of a High Priority List which identifies the isotopes-reaction couples of most interest for future refinement experiments, especially when integrated with further analogous information collected on other advanced nuclear systems. Among the cross-sections whose refinement contributes the most to the reduction of the multiplication factor, the fission of Pu{sup 239} was found, which needs to be fixed below 1% in the range of interest for ALFRED (2 keV-4 MeV). Another contribution for the amelioration of the multiplication factor calculation accuracy, is due to the capture channel of Pu{sup 239}, for which the initial high uncertainty (around 15%) can be significantly reduced resorting to easily practicable experiments. The same occurs for the inelastic of Pb{sup 207}, for which the initial uncertainty value of around 50% can be drastically reduced up to target values between 4% and 7%.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Quantum Monte Carlo Calculations of Chemical Binding and Reactions

The auxiliary field quantum Monte Carlo method developed by the PIs has been shown to provide the most accurate description of strongly correlated electronic systems, from molecules to solids. Unlike other explicitly many‐body approaches, the quantum Monte Carlo method scales as a low order polynomial of systems size, similar to mean‐field methods such as density functional theory. However, the auxiliary field quantum Monte Carlo algorithm is significantly more expensive than traditional density functional calculations. This creates a bottleneck for applications to extended systems, such as large molecules and solids. One principal objective of this proposal was to develop new auxiliary field quantum Monte Carlo computational strategies to achieve improved scaling with system size, using downfolding and localization schemes, without sacrificing the predictive power of the calculations. A second goal is to extend the reach of auxiliary field quantum Monte Carlo to calculate excited states. This final report summarizes what has been achieved during the course the project toward these goals.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

SCALED ELECTRON MODEL OF A DOGBONE MUON RLA WITH MULTI-PASS ARCS

The design of a dogbone RLA with linear-field multi-pass arcs was earlier developed for accelerating muons in a Neutrino Factory and a Muon Collider. It allows for efficient use of expensive RF while the multi-pass arc design based on linear combined-function magnets exhibits a number of advantages over separate-arc or pulsed-arc designs. Such an RLA may have applications going beyond muon acceleration. This paper describes a possible straightforward test of this concept by scaling a GeV scale muon design for electrons. Scaling muon momenta by the muon-to-electron mass ratio leads to a scheme, in which a 4.5 MeV electron beam is injected at the middle of a 3 MeV/pass linac with two double-pass return arcs and is accelerated to 18 MeV in 4.5 passes. All spatial dimensions including the orbit distortion are scaled by a factor of 7.5, which arises from scaling the 200 MHz muon RF to a readily available at CEBAF 1.5 GHz. The footprint of a complete RLA fits in an area of 25 by 7 m. The scheme utilizes only fixed magnetic fields including injection and extraction. The hardware requirements are not very demanding, making it straightforward to implement. In this report, we have shown first of all that measuring the energy spectrum of the fast neutrons in the liquid scintillators allows one to distinguish the two chemical forms of plutonium. In addition, combining this information with the Feynman 2-neutron and 3-neutron correlations allows one to extract the {alpha}-ratio without explicitly knowing the multiplication. Given the {alpha}-ratio one can then extract the multiplication as well as the {sup 239}Pu and {sup 240}Pu masses directly from the moment equations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Thermal hydraulic method for whole core design analysis of an HTGR

A new thermal hydraulic method and initial results are presented for core-wide steady state analysis of prismatic High Temperature Gas-Cooled Reactors (HTGR). The method allows for the complete solution of temperature and coolant mass flow distribution by solving quasi-steady energy balances for the discretized core. Assembly blocks are discretized into unit cells for which the average temperature of each unit cell is determined. Convective heat removal is coupled to the unit cell energy balances by a 1-D axial flow model. The flow model uses established correlations for friction factor and Nusselt number. Bypass flow is explicitly calculated by using an initial guess for mass flow distribution and determining the exit pressure of each flow channel. The mass flow distribution is updated until a uniform core exit pressure condition is reached. Results are obtained for the MHTGR-350 with emphasis on the change in thermal hydraulic parameters due to various steady state power profiles and bypass gap widths. Steady state temperature distribution and its variations are discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2012

Progress on the development of new correlations under the framework of the IAEA Coordinated Research Programme on heat transfer in SCWR's

This paper begins with an introduction designed to provide researchers who are new to field of heat transfer to fluids at supercritical pressure with a brief picture of early developments, and to set the scene for the review of work on the development of new correlations for such fluids under the framework of the IAEA CRP. These are needed because of the active consideration now being given to water-cooled nuclear reactors operating at pressures above the critical value. Work on the development of a trans-critical look-up table aimed at covering the region near the critical point is outlined. A very large heat transfer databank has been compiled and subjected to a thorough screening process. It covers a wide range of conditions and has been used for the assessment of the performance of a number of empirical equations. A detailed error analysis was carried out for the most promising ones and an examination of parametric trends was made. A new correlation is described which has been specifically designed to combine simplicity of structure, explicit connection with physically-based phenomena whilst being able to cover both normal and deteriorated heat transfer conditions. It avoids direct dependence of heat transfer coefficient on wall temperature. The performance of this correlation was evaluated using the data set of Herkenrath et al for water at supercritical pressure. Results from a recent experimental study of heat transfer to carbon dioxide at supercritical pressure under conditions of mixed convection have been used to develop a set of equations to describe the general behaviour observed. Comparisons are made between the performance of a number of equations and the data from the carbon dioxide experiments and also some for water. Finally, the development is outlined of physically-based, semi-empirical models aimed at extending an empirical equation for variable property forced convection heat transfer to fluids at supercritical pressure to account for influences of buoyancy and flow acceleration. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

On the initial condition of inflationary fluctuations

It is usually assumed that the inflationary fluctuations start from the Bunch-Davies (BD) vacuum and the iε prescription is used when interactions are calculated. We show that those assumptions can be verified explicitly by calculating the loop corrections to the inflationary two-point and three-point correlation functions. Those loop corrections can be resummed to exponential factors, which suppress non-BD coefficients and behave as the iε factor for the case of the BD initial condition. A new technique of loop chain diagram resummation is developed for this purpose. For the non-BD initial conditions which is setup at finite time and has not fully decayed, explicit correction to the two-point and three-point correlation functions are calculated. Especially, non-Gaussianity in the folded limit is regularized due to the interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

WE-AB-209-07: Explicit and Convex Optimization of Plan Quality Metrics in Intensity-Modulated Radiation Therapy Treatment Planning

Purpose: To formulate objective functions of a multicriteria fluence map optimization model that correlate well with plan quality metrics, and to solve this multicriteria model by convex approximation. Methods: In this study, objectives of a multicriteria model are formulated to explicitly either minimize or maximize a dose-at-volume measure. Given the widespread agreement that dose-at-volume levels play important roles in plan quality assessment, these objectives correlate well with plan quality metrics. This is in contrast to the conventional objectives, which are to maximize clinical goal achievement by relating to deviations from given dose-at-volume thresholds: while balancing the new objectives means explicitly balancing dose-at-volume levels, balancing the conventional objectives effectively means balancing deviations. Constituted by the inherently non-convex dose-at-volume measure, the new objectives are approximated by the convex mean-tail-dose measure (CVaR measure), yielding a convex approximation of the multicriteria model. Results: Advantages of using the convex approximation are investigated through juxtaposition with the conventional objectives in a computational study of two patient cases. Clinical goals of each case respectively point out three ROI dose-at-volume measures to be considered for plan quality assessment. This is translated in the convex approximation into minimizing three mean-tail-dose measures. Evaluations of the three ROI dose-at-volume measures on Pareto optimal plans are used to represent plan quality of the Pareto sets. Besides providing increased accuracy in terms of feasibility of solutions, the convex approximation generates Pareto sets with overall improved plan quality. In one case, the Pareto set generated by the convex approximation entirely dominates that generated with the conventional objectives. Conclusion: The initial computational study indicates that the convex approximation outperforms the conventional objectives in aspects of accuracy and plan quality.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Random matrix approach to three-dimensional QCD with a Chern-Simons term

We propose a random matrix theory for QCD in three dimensions with a Chern-Simons term at level k which spontaneously breaks the flavor symmetry according to U(2Nf) → U(Nf+k)×U(Nf-k). This random matrix model is obtained by adding a complex part to the action for the k = 0 random matrix model. We derive the pattern of spontaneous symmetry breaking from the analytical solution of the model. Additionally, we obtain explicit analytical results for the spectral density and the spectral correlation functions for the Dirac operator at finite matrix dimension, that become complex. In the microscopic domain where the matrix size tends to infinity, they are expected to be universal, and give an exact analytical prediction to the spectral properties of the Dirac operator in the presence of a Chern-Simons term. Here, we calculate the microscopic spectral density. It shows exponentially large (complex) oscillations which cancel the phase of the k = 0 theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗