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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Superconductivity on the Verge of a Pressure-Induced Lifshitz Transition in CaFe{sub 2}As{sub 2}: an Interpretation Within the Eliashberg Theory

In a recent paper, we presented the first directional point-contact Andreev reflection spectroscopy (PCARS) measurements on CaFe{sub 2}As{sub 2} crystals under quasi-hydrostatic pressure and discussed the pressure dependence of the gaps and the critical temperature. While T{sub c} exhibits a well-known smooth dependence and a broad maximum at about 0.6 GPa, both gaps increase very sharply in a small pressure range between 0.5 and 0.6 GPa, leading to a doubling of the ratio 2Δ{sub 2}/k{sub B}T{sub c} and a quadruplication of the ratio 2Δ{sub 1}/k{sub B}T{sub c}, Δ{sub 1} and Δ{sub 2} being the small and large gap, respectively. This peculiar behavior is likely to be related to a sharp change in the lattice structure that, in turn, produces a 2D-3D topological transition in the hole-like Fermi surface sheet. In this work, we show that, within an effective three-band Eliashberg theory for the electron-spin fluctuation coupling (s± symmetry), these results can be rationalized as being due to a large increase of the electron-boson coupling, which mimics the effects of a boost mechanism for the coupling related to the underlying Lifshitz transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Seebeck Coefficient Measurement and Its Narrow Band Model Interpretation in FeTe{sub 0.5}Se{sub 0.5} Superconductor

We have measured Seebeck coefficient (S) of FeTe{sub 0.5}Se{sub 0.5} superconducting sample from 10 to 300 K. The variation of Seebeck coefficient with temperature of this system was found to be very anomalous, and the overall experimental observation of the S(T) was studied in the outline of a narrow-band model. In high-temperature region, the Seebeck coefficient is almost independent of temperature. Further, from the study of high-temperature magnitude of S, sample undergoes a change in sign in the Seebeck coefficient, wherein, appearance of a negative peak around 22 K and subsequently, its Seebeck coefficient goes to zero in the superconducting transition temperature regime around 11 to 13 K. It is revealed that the bandwidth and a small asymmetry involved in narrow bands give a realistic explanation to the anomalous temperature dependence of Seebeck coefficient of FeTe{sub 0.5}Se{sub 0.5} system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Model ages of three uranium metal CRMs and implications for radiochronometry data interpretation

In this study, we report 230 Th/ 234 U and 231 Pa/ 235 U model ages in three uranium metal certified reference materials with distinct production histories and isotopic compositions ranging from depleted to highly enriched (CRMs 112-A, 115, and 116-A). Here, our results provide the first model age values for these materials using multiple radiochronometers, which can be used as reference values for quality control of radiochronometry measurements performed during nuclear forensic investigations. Furthermore, we evaluate the model ages in the context of available production records for the materials, which provides insight into the processes that may impact radiochronometry systems during uranium metal production.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Enhancing Interpretability in Generative Modeling: Statistically Disentangled Latent Spaces Guided by Generative Factors in Scientific Datasets

This study addresses the challenge of statistically extracting generative factors from complex, high-dimensional datasets in unsupervised or semi-supervised settings. We investigate encoder-decoder-based generative models for nonlinear dimensionality reduction, focusing on disentangling low-dimensional latent variables corresponding to independent physical factors. Introducing Aux-VAE, a novel architecture within the classical Variational Autoencoder framework, we achieve disentanglement with minimal modifications to the standard VAE loss function by leveraging prior statistical knowledge through auxiliary variables. These variables guide the shaping of the latent space by aligning latent factors with learned auxiliary variables. We validate the efficacy of Aux-VAE through comparative assessments on multiple datasets, including astronomical simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

The Northwest Geysers EGS Demonstration Project, California. Pre-stimulation Modeling and Interpretation of the Stimulation

The Northwest Geysers Enhanced Geothermal System (EGS) demonstration project aims to create an EGS by directly and systematically injecting cool water at relatively low pressure into a known High Temperature (280–400 °C) Zone (HTZ) located under the conventional (240 °C) geothermal steam reservoir at The Geysers geothermal field in California. Here we report that , the results of coupled thermal, hydraulic, and mechanical (THM) analyses made using a model developed as part of the pre-stimulation phase of the EGS demonstration project is presented. The model simulations were conducted in order to investigate injection strategies and the resulting effects of cold-water injection upon the EGS system; in particular to predict the extent of the stimulation zone for a given injection schedule. The actual injection began on October 6, 2011, and in this paper a comparison of pre-stimulation model predictions with micro-earthquake (MEQ) monitoring data over the first few months of a one-year injection program is presented. The results show that, by using a calibrated THM model based on historic injection and MEQ data at a nearby well, the predicted extent of the stimulation zone (defined as a zone of high MEQ density around the injection well) compares well with observed seismicity. The modeling indicates that the MEQ events are related to shear reactivation of preexisting fractures, which is triggered by the combined effects of injection-induced cooling around the injection well and small changes in steam pressure as far as half a kilometer away from the injection well. Pressure-monitoring data at adjacent wells and satellite-based ground-surface deformation data were also used to validate and further calibrate reservoir-scale hydraulic and mechanical model properties. The pressure signature monitored from the start of the injection was particularly useful for a precise back-calculation of reservoir porosity. Ultimately, the first few months of reservoir pressure and surface deformation data were useful for estimating the reservoir-rock permeability and elastic modulus. Finally, although the extent of the calculated stimulation zone matches the field observations over the first few months of injection, the observed surface deformations and MEQ evolution showed more heterogeneous behavior as a result of more complex geology, including minor faults and fracture zones that are important for consideration in the analysis of energy production and the long-term evolution of the EGS system.

58 GEOSCIENCES↗
DOE OSTI2018

Quantum games: a review of the history, current state, and interpretation

We review both theoretical and experimental developments in the area of quantum games since the inception of the subject circa 1999. Here, we will also offer a narrative on the controversy that surrounded the subject in its early days, and how this controversy has affected the development of the subject.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A Semi-Empirical Framework for Interpreting Traveling Wave Ion Mobility Arrival Time Distributions

The inherent structural heterogeneity of biomolecules is an important biophysical property that is essential to their function, but is challenging to characterize experimentally. We present a workflow that rapidly and quantitatively assesses the conformational heterogeneity of peptides and proteins in the gas phase using traveling wave ion mobility (TWIM) arrival time distributions (ATDs). We have established a set of semi-empirical equations that model the TWIM ATD peak width and resolution across a wide range of wave amplitudes (V) and wave velocities (v). In addition, a conformational broadening parameter, δ, can be extracted from this analysis that reports on the contribution of conformational heterogeneity to the broadening of TWIM ATD peak width during ion mobility separation. We use this δ value to evaluate the conformational heterogeneity of a set of helical peptides, and our analysis correlates well with previous peak width observations reported for these ions. Furthermore, we use molecular dynamics simulations to independently investigate the general flexibility of these peptides in the gas phase, and generate similar trends found in experimental TWIM data. Finally, we extended our analysis to Avidin, a 64-kDa homotetramer, and quantify the structural heterogeneity of this intact complex using TWIM ATD data as a function of cross-linking. We observe an initial reduction in δ values as a function of cross-linker concentration, demonstrating the sensitivity of our δ value analysis to changes in flexibility of the assembly. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Activation product interpretation of structural material for fast critical assemblies

This work evaluates whether activation products in stainless steel components can be used to infer initial conditions (i.e. alloy composition, position within the fluence, etc.) and the associated uncertainties in a fast neutron irradiation. Activation measurements of stainless steel and elemental components were obtained through a Flattop critical assembly irradiation experiment. A forward model was developed, utilizing MCNP6.1 and FISPACT ii, to estimate activation product concentrations from several input parameters: alloy composition, source specifications, and foil positioning. While some of the calculated activation product concentrations agreed fairly well with measurements, some isotopics (i.e. 57 Co) had large discrepancies. It became clear that uncertainties in both measurements and nuclear data drove this divergence for select isotopics, and the quantification of this impact was needed. By treating both experimental measurement and nuclear data uncertainty in a Bayesian framework, it was possible to infer unknowns from given activation ratios. The developed approach showed promise in constraining mass parameters, but degeneracy existed when considering position within the neutron flux. Higher threshold reactions could potentially break the degeneracy, such as 57 Co, but uncertainty estimation needs to be better resolved for those isotopes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

New results from a number operator interpretation of the compositeness of bound and resonant states

A novel theoretical approach to the problem of the compositeness (X) of a resonance or bound state is developed on the basis of the expectation values of the number operators of the free particles in the continuum. This formalism is specially suitable for effective field theories in which the bare elementary states are integrated out but that give rise to resonance and bound states when implemented in nonperturbative calculations. We demonstrate that X=1 for finite-range energy-independent potentials, either regular or singular. A non-trivial example for an energy-dependent potential is discussed where it is shown that X is independent of any type of cutoff regulator employed. The generalization of these techniques to relativistic states is developed. We also explain how to obtain a meaningful compositeness with respect to the open channels for resonances, even if it is complex in a first turn, by making use of suitable phase-factor transformations. Defining elementariness as X=0, we derive a new universal criterion for the elementariness of a bound state. Along the same lines, a necessary condition for a resonance to be qualified as elementary is given. The application of the formalism here developed might be of considerable practical interest.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗