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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 343 records · Page 19

Effect of Carbon Nanofiber Clustering on the Micromechanical Properties of a Cement Paste

The use of carbon nanofibers (CNFs) in cement systems has received significant interest over the last decade due to their nanoscale reinforcing potential. However, despite many reports on the formation of localized CNF clusters, their effect on the cement paste micromechanical properties and relation to the mechanical response at the macroscopic scale are still not fully understood. In this study, grid nanoindentation coupled with scanning electron microscopy and energy dispersive spectroscopy was used to determine the local elastic indentation modulus and hardness of a portland cement paste containing 0.2% CNFs with sub-micro and microscale CNF clusters. The presence of low stiffness and porous assemblage of phases (modulus of 15–25 GPa) was identified in the cement paste with CNFs and was attributed primarily to the interfacial zone surrounding the CNF clusters. The CNFs favored the formation of higher modulus C–S–H phases (>30 GPa) in the bulk paste at the expense of the lower stiffness C–S–H. Nanoindentation results combined with a microscale–macroscale upscaling homogenization method further revealed an elastic modulus of the CNF clusters in the range from 18 to 21 GPa, indicating that the CNF clusters acted as compliant inclusions relative to the cement paste.

36 MATERIALS SCIENCE↗

Determination of effective attenuation length of slow electrons in polymer films

Slow electrons (with energy below 10 eV) play an important role in nature and technology. For instance, they are believed to initiate solubility change in extreme ultraviolet resists. Depending on their mobility, such secondary electrons can lead to image blur and degradation of patterning resolution. Hence, it is important to characterize the transport of slow electrons by measuring parameters such as the effective attenuation length (EAL). In this work, we present a technique that allows for prompt characterization of EAL in polymer films. In this experiment, slow electrons are generated in a substrate upon absorption of x-ray photons. The attenuation of electron flux by a polymer film is measured as a function of film thickness, allowing for the determination of EAL for slow electrons. We illustrate this method with poly(hydroxy styrene) and poly(methyl metacrylate) films. Furthermore, we propose an improvement for this technique that would enable the measurement of EAL as a function of electron kinetic energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exploring structural transitions at grain boundaries in Nb using a generalized embedded atom interatomic potential

The advancement in experimental techniques, like the atom probe tomography and high resolution electron microscopy, is fueling interest in studying structural transformations of grain boundaries in metal and alloys to uncover correlations between mechanical properties and solute or impurity segregation to grain boundaries. Atomistic modeling is an important tool that can pinpoint the intricate dynamics of grain boundary phase transitions, but the lack of accurate interatomic potentials needed to simulate the complex dynamics of grain boundary structural transitions and identify different metastable phases has been the bottleneck. To this end, we use niobium as a model body centered cubic (BCC) metal and develop an interatomic potential to study grain boundary phase transitions. The potential for Nb is based on a generalization of the embedded atomic method potential and has sufficient flexibility to learn complex energy landscapes using a small set of training structures. We systematically test and validate the using data from ab initio density functional theory calculations and experiments. Using this potential, we calculate energies of multiple symmetric-tilt grain boundaries spanning a wide range of misorientation angles. Additionally, we explore different metastable structures of the Σ 27(552) [$1\overline{1}0$] grain boundary and use molecular dynamic simulations to study the coexistence of metastable phases and grain boundary transitions at finite temperature.

36 MATERIALS SCIENCE↗

EGS Collab Experiment 2: 4100 Foot Level Elastic Property Data

Static and dynamic elastic properties (Young's modulus, Shear Modulus, P-wave Modulus, and Poisson's Ratio) of amphibolites and rhyolites from the TV4100 and TH4100 boreholes at the Sanford Underground Research Laboratory (SURF). Elastic properties include Young's modulus, Poisson's ratio, shear modulus, and p-wave modulus. Raw data from the experiments and slides describing the experimental procedure and a summary of results are included, along with a readme file with additional definitions and information.

15 GEOTHERMAL ENERGY↗

Order-disorder versus displacive transitions in Jahn-Teller active layered materials

Large anharmonic vibrations often play a crucial role in dynamically stabilizing crystalline phases whose structures are unstable at low temperature. Although the average structure of such phases can be measured through diffraction experiments, their local structure remains a challenge to characterize and understand. Dynamically stabilized phases are often classified as order/disorder or displacive based on the qualitative nature of their local structure. A robust understanding of how chemistry determines this distinction in behavior, however, is lacking. This article presents a parametric study of an anharmonic vibrational model that describes the transition from a cooperative to a noncooperative Jahn-Teller distortion in layered oxides—a class of materials widely used in Li-ion and Na-ion batteries. The results illustrate how the shape of the energy landscape determines the extent to which the high-temperature phase has order/disorder vs displacive character. In this work, we find that the nature of the high-temperature phase is determined by a competition between the strength of the elastic coupling between Jahn-Teller distortions at nearby sites and the energy scale driving the Jahn-Teller distortion. A comparison of the model to energy landscapes calculated with density-functional theory suggests that the high-temperature phases of the Jahn-Teller active layered compounds LiNiO 2 , NaNiO 2 , LiMnO 2 , and NaMnO 2 exhibit order/disorder character.

36 MATERIALS SCIENCE↗

First demonstration of 30 eVee ionization energy resolution with RICOCHET germanium cryogenic bolometers

The future RICOCHET experiment aims to search for new physics in the electroweak sector by measuring the Coherent Elastic Neutrino-Nucleus Scattering process from reactor antineutrinos with high precision down to the sub-100 eV nuclear recoil energy range. While the RICOCHET collaboration is currently building the experimental setup at the reactor site, it is also finalizing the cryogenic detector arrays that will be integrated into the cryostat at the Institut Laue Langevin in early 2024. In this paper, we report on recent progress from the Ge cryogenic detector technology, called the CryoCube. More specifically, we present the first demonstration of a 30 eVee (electron equivalent) baseline ionization resolution (RMS) achieved with an early design of the detector assembly and its dedicated High Electron Mobility Transistor (HEMT) based front-end electronics with a total input capacitance of about 40 pF. This represents an order of magnitude improvement over the best ionization resolutions obtained on similar phonon-and-ionization germanium cryogenic detectors from the EDELWEISS and SuperCDMS dark matter experiments, and a factor of three improvement compared to the first fully-cryogenic HEMT-based preamplifier coupled to a CDMS-II germanium detector with a total input capacitance of 250 pF. Additionally, we discuss the implications of these results in the context of the future RICOCHET experiment and its expected background mitigation performance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Modelling the brittle failure of graphite induced by the controlled impact of runaway electrons in DIII-D

The thermo-mechanical response of an ATJ graphite sample to controlled runaway electron (RE) dissipation, realized in DIII-D, is modelled with a novel work-flow that features the RE orbit code KORC, the Monte Carlo particle transport code Geant4 and the finite element multiphysics software COMSOL. KORC provides the RE striking positions and momenta, Geant4 calculates the volumetric energy deposition and COMSOL simulates the thermoelastic response. Brittle failure is predicted according to the maximum normal stress criterion, which is suitable for ATJ graphite owing to its linear elastic behavior up to fracture and its isotropic mechanical properties. Measurements of the conducted energy, damage topology, explosion timing and blown-off material volume, impose a number of empirical constraints that suffice to distinguish between different RE impact scenarios and to identify RE parameters which provide the best match to the observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Efficient optimization method for finding minimum energy paths of magnetic transitions

Here, efficient algorithms for the calculation of minimum energy paths of magnetic transitions are implemented within the geodesic nudged elastic band (GNEB) approach. While an objective function is not available for GNEB and a traditional line search can, therefore, not be performed, the use of limited memory Broyden–Fletcher–Goldfarb–Shanno (LBFGS) and conjugate gradient algorithms in conjunction with orthogonal spin optimization (OSO) approach is shown to greatly outperform the previously used velocity projection and dissipative Landau–Lifschitz dynamics optimization methods. The implementation makes use of energy weighted springs for the distribution of the discretization points along the path and this is found to improve performance significantly. The various methods are applied to several test problems using a Heisenberg-type Hamiltonian, extended in some cases to include Dzyaloshinskii–Moriya and exchange interactions beyond nearest neighbours. Minimum energy paths are found for magnetization reversals in a nano-island, collapse of skyrmions in two-dimensional layers and annihilation of a chiral bobber near the surface of a three-dimensional magnet. The LBFGS-OSO method is found to outperform the dynamics based approaches by up to a factor of 8 in some cases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A complete grain-level assessment of the stress-strain evolution and associated deformation response in polycrystalline alloys

Polycrystalline alloys are used pervasively across structural applications contingent upon extensive experimental testing. A statistically representative number of tests are required to expose the variability in the material's performance, as a result of non-uniform microstructures and associated micromechanical fields. In a more direct means of capturing this pertinent information, multi-modal experimental techniques are presented to measure and track the complete micromechanical state, evolving during loading, of each and every grain within the regions of interest. Specifically, a combination of high-energy X-ray diffraction microscopy and digital image correlation coupled with electron backscatter diffraction are conducted on a specimen for each of the alloys, Haynes 282 and Ti7Al. The results of the multi-modal analysis definitively demonstrate that the degree of heterogeneity increases with deformation level and is used to assess the number of grains necessary for a representative volume element description of the stress state for each of these materials. Moreover, higher resolution imaging is used for identification of the slip system activity and subsequently used to study slip transmission events. An accurate knowledge of the resolved shear stress in adjacent grains (grain interactions) is demonstrated to be a key descriptor of the slip transmission events.

36 MATERIALS SCIENCE↗

Damage Tolerance Assessment of Laser Clad Repairs of Coarse Grain Ti-6Al-4V

Background: Laser cladding offers a promising approach to repairing aviation components, with the ability to restore the geometric shape and the static and fatigue strength. Objective: The damage tolerance of a coarse grain Ti-6Al-4 V material is assessed via three sets of samples: (i) baseline, (ii) laser clad repaired, and (iii) laser cladding followed by heat treatment. Method: The specimens were subjected to fatigue loading using a marker band technique, in which cracks initiated from pre-defined laser slots and the small crack growth rates were measured by quantitative fractography. Additional characterization was performed on these samples, including hardness measurements, microstructure analysis, and multimodal residual stress analyses. Results: The region of the specimen undergoing laser cladding exhibited higher hardness values and a compressive residual stress, based on the slitting method. The samples subjected to heat treatment after cladding displayed negligible differences in grain size and minimal residual stress relaxation. Conclusions: The results demonstrated significant variability, with data demonstrating that cracks in the laser clad region (exhibiting the largest compressive residual stress) grew faster than cracks in the substrate region of the sample or in the baseline cases. Finally, these counterintuitive results are rationalized with additional analyses from synchrotron-based energy dispersive X-ray diffraction and high energy X-ray diffraction, demonstrating significant spatial variability in the residual elastic strains in the millimeter-sized prior β grains within the material.

36 MATERIALS SCIENCE↗

Validation of Numerical Models of the Offshore Wind Turbine From the Alpha Ventus Wind Farm Against Full-Scale Measurements Within OC5 Phase III

The main objective of the Offshore Code Comparison Collaboration Continuation, with Correlation (OC5) project is validation of aero-hydro-servo-elastic simulation tools for offshore wind turbines (OWTs) through comparison of simulated results to the response data of physical systems. Phase III of the OC5 project validates OWT models against the measurements recorded on a Senvion 5M wind turbine supported by the OWEC Quattropod from the alpha ventus offshore wind farm. The following operating conditions of the wind turbine were chosen for the validation: (1) idling below the cut-in wind speed, (2) rotor-nacelle assembly (RNA) rotation maneuver below the cut-in wind speed, (3) power production below and above the rated wind speed, and (4) shutdown. A number of validation load cases were defined based on these operating conditions. The following measurements were used for validation: (1) strains and accelerations recorded on the support structure and (2) pitch, yaw, and azimuth angles, generator speed, and electrical power recorded from the RNA. Strains were not directly available from the majority of the OWT simulation tools; therefore, strains were calculated based on out-of-plane bending moments, axial forces, and cross-sectional properties of the structural members. The simulation results and measurements were compared in terms of time series, discrete Fourier transforms, power spectral densities, and probability density functions of strains and accelerometers. A good match was achieved between the measurements and models setup by OC5 Phase III participants.

17 WIND ENERGY↗

Inherent-state melting and the onset of glassy dynamics in two-dimensional supercooled liquids

Below the onset temperature T o , the equilibrium relaxation time of most glass-forming liquids exhibits glassy dynamics characterized by a super-Arrhenius temperature dependence. In this supercooled regime, the relaxation dynamics also proceeds through localized elastic excitations corresponding to hopping events between inherent states, i.e., potential-energy-minimizing configurations of the liquid. Despite its importance in distinguishing the supercooled regime from the high-temperature regime, the microscopic origin of T o is not yet known. Here, we construct a theory for the onset temperature in two dimensions and find that an inherent-state melting transition, described by the binding–unbinding transition of dipolar elastic excitations, delineates the supercooled regime from the high-temperature regime. The corresponding melting transition temperature is in good agreement with the onset temperature found in various two-dimensional (2D) atomistic models of glass formers and an experimental binary colloidal system confined to a water–air interface. Additionally, we find the predictions for the renormalized elastic moduli to agree with the experimentally observed values for the latter 2D colloidal system. We further discuss the predictions of our theory on the displacement and density correlations at supercooled conditions, which are consistent with observations of the Mermin–Wagner fluctuations in experiments and molecular simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Machine Learning Approaches to Predicting Induced Seismicity and Imaging Geothermal Reservoir Properties

This project developed machine learning (ML) methods, lab data sets, and field data to advance geothermal exploration and geothermal energy production. The work had three focus areas. One involved the development of ML methods to use microearthquakes (MEQs) for imaging geothermal reservoir properties and improving subsurface characterization – most importantly the evolution of permeability within the evolving reservoir. This part of the work included development of ML approaches for automated MEQ location, focal mechanism determination and identification of earthquake precursors. The second area focused on using MEQ signals generated by geothermal exploration and production to predict the relationship between fluid injection and seismicity. Here, we extended to reservoir scale our success in using ML to predict laboratory earthquakes and fault zone stress state. The third focus area was on lab experiments. Here, we developed new ML models for lab earthquake prediction and identification of precursors to failure to improve earthquake forecasting and early warning in geothermal settings. Major outcomes of our work include ML models that learn from MEQ signals during geothermal exploration and production to predict induced seismicity. MEQs occur naturally in connection with drilling and energy production. We developed ML methods to use the seismic waves from these events to characterize the elastic, hydraulic and poromechanical properties of reservoirs. Our work illuminated fracture geometry and the evolution of fracture permeability by incorporating seismic coda wave analysis and ML methods to relate fluid injection and seismicity. We significantly expanded laboratory earthquake prediction to include methods that use both passive measurements of microearthquakes within the lab fault zones and also active source acoustic measurements of fault zone elastic properties. These methods can now predict fault zone stress state, time to failure and the magnitude of lab earthquakes. Our work showed that repetitive stick- slip failure events during frictional sliding (the lab equivalent of earthquakes) are preceded by a cascade of micro-failure events that radiate energy in a manner that foretells unstable failure – manifest as laboratory MEQs. We documented a mapping between fracture properties and statistical attributes of elastic radiation. We extended existing works to geothermal reservoir scale and developed ML methods to determine reservoir permeability, fracture properties, and their evolution during geothermal energy production. An attractive feature of ML algorithms is their ability to handle big datasets and reveal patterns and correlations that may remain invisible to conventional analyses. Our work connected data from field, laboratory and intermediate scales to study permeability, stress, strength, fracture stiffness and geometry. At the field scale we used data from the Newberry Volcano field site, UtahFORGE, EGS Collab, and also the Bedretto underground research lab in Switzerland. These data sets are bridging the gap between the lab scale, theory, and reservoir scale. Our work produced plain language summaries to improve public understanding of DOE research. We also developed openly distributed ML and seismicity datasets for use by all researchers and we published connections between induced seismicity in geothermal areas and reservoir properties including permeability, fracture properties, and stress state. Our models are designed for the large data sets of induced seismicity typically associated with geothermal sites. We produced labeled event catalogs and used them on geothermal data to assess how ML can facilitate geothermal production and exploration. All datasets are available on the GDR Productivity: The project produced 32 publications in peer reviewed journals (two are in review). It supported the work of 6 PhD students, 40 conference presentations, 6 keynote talks at national meetings, and mentoring and professional development for 4 postdoctoral fellows.

15 GEOTHERMAL ENERGY↗

Demonstration of a laser-driven, narrow spectral bandwidth x-ray source for collective x-ray scattering experiments

X-ray Thomson scattering (XRTS) is a powerful diagnostic technique that involves an x-ray source interacting with a dense plasma sample, resulting in a spectrum of elastically and inelastically scattered x-rays. Depending on the plasma conditions, one can measure a range of parameters from the resulting spectrum, including plasma temperature, electron density, and ionization state. To achieve sensitivity to collective electron oscillations, XRTS measurements require limited momentum transfer where the spectral separation of elastic and inelastic scattering is small. Such measurements require an x-ray probe source with a narrow bandwidth in order to reduce the spectral overlap between scattering contributions, allowing for the different features to be more precisely deconvolved. In this investigation, we discuss the theory behind how the bandwidth for a common XRTS probe, Zn He-α emission at 9 keV, can be reduced using a Cu K-edge filter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Measurement of the conduction band spin-orbit splitting in $\mathrm{WSe_2}$ and $\mathrm{WS_2}$ monolayers

We have investigated charge tunable devices based on $\mathrm{WSe_2}$ and $\mathrm{WS_2}$monolayers encapsulated in hexagonal boron nitride. In addition to the well-known radiative recombination of neutral and charged excitons, stationary photoluminescence measurements highlight a weaker-intensity optical transition that appears when the monolayer is electrostatically doped with electrons. We have carried out a detailed characterization of this photoluminescence line based on its doping dependence, its variation as a function of the optical excitation power, its polarization characteristics, and its g factor measured under longitudinal magnetic field. We interpret this luminescence peak as an impurity-assisted radiative recombination of the intervalley negatively charged exciton (triplet trion). In addition to the standard direct recombination, the triplet trion has a second recombination channel triggered by elastic scattering off the short-range impurity potential. The energy difference between the emitted photons from these two possible recombination processes of the same triplet trion is simply the single-particle conduction band spin-orbit splitting Δ c . We measure Δ c = 12 ± 0.5 meV for the $\mathrm{WSe_2}$ monolayer and Δ c = 12 ± 1 meV for the $\mathrm{WS_2}$ monolayer. Here, these results demonstrate the importance of second-order exciton recombination processes in transition-metal dichalcogenide structures.

2-dimensional systems↗

Model-independent determination of the dipole response of 66 Zn using quasimonoenergetic and linearly polarized photon beams

Background: Photon strength functions are an important ingredient in calculations relevant for the nucleosynthesis of heavy elements. The relation to the photoabsorption cross section allows to experimentally constrain photon strength functions by investigating the photoresponse of atomic nuclei. Purpose: Here, we determine the photoresponse of 66 Zn in the energy region of 5.6 MeV to 9.9 MeV and analyze the contribution of the 'elastic' decay channel back to the ground state. In addition, for the elastic channel electric and magnetic dipole transitions were separated. Methods: Nuclear resonance fluorescence experiments were performed using a linearly polarized quasi-monoenergetic photon beam at the High Intensity γ-ray Source. Photon beam energies from 5.6 to 9.9 MeV with an energy spread of about 3% were selected in steps of 200–300 keV. Two high purity germanium detectors were used for the subsequent γ-ray spectroscopy. Results: Full photoabsorption cross sections are extracted from the data making use of the monoenergetic character of the photon beam. For the ground-state decay channel, the average contribution of electric and magnetic dipole strengths is disentangled. The average branching ratio back to the ground state is determined as well. Conclusions: The new results indicate lower cross sections when compared to the values extracted from a former experiment using bremsstrahlung on 66 Zn. In the latter, the average branching ratio to the ground state is estimated from statistical-model calculations in order to analyze the data. Corresponding estimates from statistical-model calculations underestimate this branching ratio compared to the values extracted from the present analysis, which would partly explain the high cross sections determined from the bremsstrahlung data.

59 ≤ A ≤ 89↗

Neutrino-nucleus CC 0 π cross-section tuning in GENIE v3

This article summarizes the state of the art of v μ and $\bar{v}_μ$ CC0π cross-section measurements on carbon and argon and discusses the relevant nuclear models, parametrizations and uncertainties in GENIE v3. The CC0π event topology is common in experiments at a few-GeV energy range. Although its main contribution comes from quasi-elastic interactions, this topology is still not well understood. The GENIE global analysis framework is exploited to analyze CC0π datasets from MiniBooNE, T2K and MINERvA. A partial tune for each experiment is performed, providing a common base for the discussion of tensions between datasets. The results offer an improved description of nuclear CC0π datasets as well as data-driven uncertainties for each experiment. This work is a step towards a GENIE global tune that improves our understanding of neutrino interactions on nuclei. It follows from earlier GENIE work on the analysis of neutrino scattering datasets on hydrogen and deuterium.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗