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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Causality, unitarity and symmetry in effective field theory

Sum rules in effective field theories, predicated upon causality, place restrictions on scattering amplitudes mediated by effective contact interactions. Through unitarity of the S -matrix, these imply that the size of higher dimensional corrections to transition amplitudes between different states is bounded by the strength of their contributions to elastic forward scattering processes. This places fundamental limits on the extent to which hypothetical symmetries can be broken by effective interactions. All analysis is for dimension 8 operators in the forward limit. Included is a thorough derivation of all positivity bounds for a chiral fermion in SU(2) and SU(3) global symmetry representations resembling those of the Standard Model, general bounds on flavour violation, new bounds for interactions between particles of different spin, inclusion of loops of dimension 6 operators and illustration of the resulting strengthening of positivity bounds over tree-level expectations, a catalogue of supersymmetric effective interactions up to mass dimension 8 and 4 legs and the demonstration that supersymmetry unifies the positivity theorems as well as the new bounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Anisotropic elastoplastic response of double-porosity media

Here we present a continuum framework to simulate fluid flow through anisotropic elastoplastic media with double porosity. Two effective stress measures σ' and δ" emerge from the thermodynamic formulation, which are energy-conjugate to the elastic and plastic components of strain, respectively. Both effective stress measures can be expressed as a combination of the total Cauchy stress σ and the average pore pressure $\bar{p}$ in the two pore scales. In the effective stress for elasticity, $\bar{p}$ is scaled with a rank-2 Biot tensor, whereas the effective stress for plasticity follows the Terzaghi form in which $\bar{p}$ is scaled by the Kronecker delta. The Biot tensor and storage coefficients are derived as functions of elasticity parameters and porosities. A mixed finite element formulation is introduced to discretize the domain and solve initial boundary-value problems. A stabilization scheme is employed on equal-order interpolation for both displacement and pressure fields throughout the entire range of drainage responses. Numerical simulations reproduce the hydromechanical response of Opalinus shale in one-dimensional consolidation tests throughout the range of primary and secondary consolidation under different external loads. Numerical simulations of the consolidation of a rectangular domain subjected to a strip load demonstrate the efficacy of the proposed stabilization scheme, as well as illustrate the impacts of stress history, mass transfer, and different pore systems on the hydromechanical response.

42 ENGINEERING↗
DOE OSTI2021

Unraveling the implications of finite specimen size on the interpretation of dynamic experiments for polycrystalline aluminum through direct numerical simulations

Normal and Pressure-shear plate impact (NPI and PSPI) experiments are popular experimental techniques for studying the mean-field macroscopic behavior of polycrystalline metals under high-rate dynamic loading. However, since both configurations rely upon geometry for subjecting the specimen to high strain rates, these experiments often involve a limited specimen size. Moreover, because of the inherent heterogeneities present within polycrystalline metals, it is difficult to ascertain if the size of the specimen and/or regions where measurements are made are sufficiently large for making representative inferences about the mean-field macroscopic properties from single-point velocity measurements. In the present study, we quantify the expected measurement variability on observable point measurements in NPI and PSPI experiments by carrying out direct numerical simulations (DNS) of statistically representative polycrystalline microstructures subjected to dynamic compression and compression-shear loading. In particular, we consider the role of specific material heterogeneities (e.g. the grain-to-grain difference in size, crystallographic orientation) on dispersion in the normal and transverse particle velocity records and on local fluctuations in key state variables (e.g. velocity, accumulated plastic strain) by incorporating these effects directly into a representative synthetic microstructure geometry and crystalline description of pure polycrystalline aluminum. The form of the present study is a large parametric investigation, consisting of ten ensembles of one hundred simulations. Each of the thousand simulations reflects a randomly realized synthetic microstructure in one of five cases of decreasing average grain size for the two loading configurations. Our analysis of the DNS results demonstrates that for both of these experimental configurations, the grain size directly correlates with the coefficient of variation (CV) in simulated point measurements, showing a convergent decrease in CV to zero (i.e. particle velocity record approaches the mean-field value) with decreasing grain size. Remarkably, the magnitude of variations in the particle velocity record is shown to be largest where the deviatoric stresses are most significant. In the case of NPI, this occurs at the elastic and plastic wavefront, whereas, in the case of PSPI, the magnitude of fluctuations are approximately constant throughout the experimental window time. The reasoning for the scatter in particle velocity due to the heterogeneous microstructure is demonstrated to be dependent on the mechanisms for accommodating deformation and on the interaction of reflection waves generated at sites of heterogeneities occurring at the scale of grains. Lastly, we develop a power-law description for the magnitude of scattering versus characteristic length, which provides a statistical framework for assessing the required number of grains per characteristic specimen dimension for minimizing scatter within these two experimental configurations (NPI, PSPI).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Short-range magnetic correlations in quasicrystalline i -Tb-Cd

Here, we report on elastic and inelastic neutron scattering from single-grain isotopically enriched samples to elucidate the local magnetic correlations between Tb 3+ moments in quasicrystalline i -Tb-Cd. The inelastic neutron scattering measurements of the crystalline electric field excitations demonstrated that the Tb 3+ moments are directed primarily along the local fivefold axes of the Tsai-type cluster as was found for the TbCd 6 approximant phase. Based on the inelastic measurements, we consider a simple Ising-type model for the moment configurations on a single Tb 3+ icosahedron and enumerate the lowest energy moment configurations. We then calculate the diffuse scattering from these configurations and compare with the experimental magnetic diffuse scattering measurements to identify the most likely single cluster moment configurations and find reasonable agreement between the broad features observed in our scattering simulations. We further use a heuristic glass model as well as large-scale Monte-Carlo simulations of a multicluster model to consider the role of higher-order (longer-range) intercluster correlations for magnetic frustration and the magnetic scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

The delineation and interpretation of the Earth's gravity field

The geoid and topographic fields of the central Pacific were delineated and shown to correlate closely at intermediate wavelengths (500 to 2500 km). The associated admittance shows that anomalies having wavelengths less than about 1000 km are probably supported by the elastic strength of the lithosphere. Larger wavelength anomalies are due to dynamic effects in the sublithosphere. Direct modeling of small scale convection in the asthenosphere shows that the amplitudes of observed geoid and topographic anomalies can be independently matched, but that the observed admittance cannot. Only by imposing an initial regional variation in the thermal regime is it possible to match the admittance. It is proposed that this variation may be due to differences in the onset time of convection beneath the lithosphere of different ages. That is, convection beneath thickening lithosphere is strongly dependent on the rate of thickening (V) relative to the rise time for convection. The critical Rayleigh number contains the length scale K/V, where K is thermal diffusivity. Young, fast growing lithosphere stabilizes the underlying asthenosphere unless it has an unusually low viscosity. Lithosphere of different age, separated by fracture zones, will go unstable at different times, producing regional horizontal temperature gradient that may strongly influence convection. Laboratory and numerical experiments are proposed to study this form of convection and its influence on the geoid.

Marsh, Bruce D.↗
NASA NTRS1995

Macroscopic and bulk-controlled elastic modes in an interaction of interstitial alcali metal cations within a face-centered cubic crystalline fullerine

The calculations in a majority of previous works for the fulleride (AqC-60) crystals were performed within the framework of the rigid-lattice model, neglecting the distortion relaxation of the host fullerene (C-60) crystal caused by the interstitial alkali-metal (A) cations. However, an each cation is a source of a static distortion field, and the resulting field is a superposition of such fields generated by all cations. This is a reason why the host-crystal distortions depend on the A-cations configurations, i.e. on a type of a spatial bulk distribution of interstitial cations. The given paper seeks to find a functional relation between the amplitudes of the doping-induced structure-distortion waves and of static concentration ones. A semiphenomenological model is constructed here within the scope of statistical-thermodynamic treatment and using the lattice-statistics simulation method(*). In this model the effects due to the presence of q solute A cations over available interstices (per unit cell) on the static inherent reorientation and/or displacements of the solvent molecules from the 'average-lattice' sites' as well as on the lattice parameter a of a elastically-anysotropic 'cubic' C-60 crystal are taken into account.

Tatarenko, Valentine A.↗
DOE OSTI2020

Resummation of QED radiative corrections in a strong constant crossed field

By considering radiative corrections of up to 3rd-loop order, Ritus and Narozhny conjectured that the proper expansion parameter for QED in a strong constant crossed field is $g=\alpha\chi^{2/3}$, where the dynamical quantum parameter $\chi=e\sqrt{-(Fp)^2}/m^3$ combines the particle momentum $p$ with the external field strength tensor $F$. Here we present and discuss the first non-perturbative result in this context, the resummed bubble-type polarization corrections to the electron self-energy in a constant crossed field. Our analysis confirms the relevance of the scaling parameter $g$ to the enhancement of bubble-type radiative corrections. This parameter actually represents the characteristic value of the ratio of the 1-loop polarization bubble to the photon virtuality. After an all-order resummation we identify and discuss two contributions to the self-energy with different formation regions and asymptotic behavior for $g\gg1$. Whereas the breakdown of perturbation theory occurs already for $g\gtrsim1$, the leading-order result remains dominant until the asymptotic regime $g\gg 1$ is reached. However, the latter is specific to processes like elastic scattering or photon emission and does not have to remain true for general higher-order QED processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Isotropic seismic radiation from rock damage and dilatancy

SUMMARY We present semi-analytical and numerical results on isotropic radiation expected to be generated by seismic sources with damaged dilatant materials that sustain during failure an overall shear deformation. The results are derived for inclusions with different stiffness components, including those responsible for shear-volumetric coupling in dilatant material, and different geometries, in a surrounding elastic solid. The obtained relations indicate that the isotropic seismic potency and seismic moment components are proportional to the shear potency components multiplied by the aspect ratio between the thickness and length of the source zone. For a typical rupture zone with a thin tabular geometry, the expected small aspect ratio explains the general seismological observations of small isotropic radiation. However, isotropic radiation induced by dynamic dilation for short and thick sources is more pronounced and may reach for spherical sources sustaining shear deformation 18 per cent of the shear components. Sources that include also tensile components and explosions can produce larger isotropic radiation. The results provide rigorous relations that can be used to estimate different source properties in numerical simulations, experiments and field studies.

Geochemistry & Geophysics↗
DOE OSTI2022

Study of the interplay between lower-order and higher-order energetic strain-gradient effects in polycrystal plasticity

in this report strain-gradient (SG) plasticity refers to a class of non-local theories in which gradients of plastic slip determine the storage of geometrically necessary dislocations, introducing a length-scale dependence in the mechanical behavior of crystalline materials, which is otherwise lacking in local theories. In this work, we incorporate lower-order (LO) and higher-order energetic (HOE) strain-gradient effects into a crystal plasticity fast Fourier transform (FFT)-based formulation to investigate the interplay of the length scale that each strain-gradient term introduces at the microscale, and the mechanical properties that result at the macroscale. For an applicable range of length scales, we consider two systems: a 1-D two-phase face centered cubic (FCC) laminate and a 3-D FCC polycrystal, and two uniaxial deformation modes: monotonic tension and cyclic tension–compression. We show that increases in the individual LO and HOE length scales increase the hardening rate and strength of the material, respectively. When combined, the strong LO hardening is less pronounced than the effect alone due to the lowering of the gradients due to the HOE microstress. We demonstrate that the LO and HOE hardening manifest as “isotropic” (yield surface expansion) and “kinematic” (yield surface shift) effects, respectively, consistent with their theoretical origins. We show that in cyclic loading, the Bauschinger effect emerges in both local and non-local calculations and link its origins and severity to the behavior in the strain field, slip-system rates, and the HOE microforce.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Prediction of carbon nanostructure mechanical properties and the role of defects using machine learning

Graphene-based nanostructures hold immense potential as strong and lightweight materials, however, their mechanical properties such as modulus and strength are difficult to fully exploit due to challenges in atomic-scale engineering. This study presents a database of over 2,000 pristine and defective nanoscale CNT bundles and other graphitic assemblies, inspired by microscopy, with associated stress–strain curves from reactive molecular dynamics (MD) simulations using the reactive INTERFACE force field (IFF-R). These 3D structures, containing up to 80,000 atoms, enable detailed analyses of structure-stiffness-failure relationships. By leveraging the database and physics- and chemistry-informed machine learning (ML), accurate predictions of elastic moduli and tensile strength are demonstrated at speeds 1,000 to 10,000 times faster than efficient MD simulations. Hierarchical Graph Neural Networks with Spatial Information (HS-GNNs) are introduced, which integrate chemistry knowledge. HS-GNNs as well as extreme gradient boosted trees (XGBoost) achieve forecasts of mechanical properties of arbitrary carbon nanostructures with only 3 to 6% mean relative error. The reliability equals experimental accuracy and is up to 20 times higher than other ML methods. Predictions maintain 8 to 18% accuracy for large CNT bundles, CNT junctions, and carbon fiber cross-sections outside the training distribution. The physics- and chemistry-informed HS-GNN works remarkably well for data outside the training range while XGBoost works well with limited training data inside the training range. The carbon nanostructure database is designed for integration with multimodal experimental and simulation data, scalable beyond 100 nm size, and extendable to chemically similar compounds and broader property ranges. The ML approaches have potential for applications in structural materials, nanoelectronics, and carbon-based catalysts.

Winetrout, Jordan J.↗
DOE OSTI2023

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↗
DOE OSTI2020

Tunneling Spectroscopy of Quantum Spin Liquids

Here, we examine the spectroscopic signatures of tunneling through a Kitaev quantum spin liquid (QSL) barrier in a number of experimentally relevant geometries. We combine contributions from elastic and inelastic tunneling processes and find that spin-flip scattering at the itinerant spinon modes gives rise to a gapped contribution to the tunneling conductance spectrum. We address the spectral modifications that arise in a magnetic field, which is applied to drive the candidate material α-RuCl 3 into a QSL phase, and we propose a lateral 1D tunnel junction as a viable setup in this regime. The characteristic spin gap is an unambiguous signature of the fractionalized QSL excitations, distinguishing it from magnons or phonons. We discuss the generalization of our results to a wide variety of QSLs with gapped and gapless spin correlators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Validation of Computational Fluid Dynamics Simulations for Biological Performance Assessment in Hydropower units (Final Report)

The biological performance assessment (BioPA) toolset developed by Pacific Northwest National Laboratory (PNNL) estimates the relative biological performance of fish passage at a hydroelectric power turbine unit. The tool is based on the use of computational fluid dynamics (CFD) and fish biological response relationships. The recent release, BioPA-v3, is based on directly computed trajectory and collision of material Lagrangian particles using CFD simulation codes rather than the prior version that relies on Tecplot to compute streamtrace trajectories. Before modifying the toolset, a series of validation tests were performed at the various steps of modification in the toolset. Validation is a critical step of any numerical investigation that reflects the accuracy and reliability of the predicted results. It raises the confidence level of the user to use the modified version of the BioPA toolset. Several test cases were simulated and compared, where available, to observed data. The trajectory and collision of the small spherical and cylindrical particles in a water flume were compared to in-house experiments. The CFD predicted collision rate and flow field compared well with experimental observation for vane array and large cylinder as target bodies. Next, the CFD-predicted flow field and hydraulic performance of a laboratory-scale model of a Francis turbine was also successfully validated. Note that the trajectory of the particles is significantly affected by the flow field in such extreme conditions. In addition to the particle trajectories and flow field, the collision detection method employed in the CFD simulations was also successfully validated. The CFD predicted impact velocity, collision time, velocity, and trajectory of a sphere excellently matched with analytical value for a bouncing ball in the elastic collision. A similar approach was also tested and successfully validated for a collision of sphere with a 45° inclined plane. After successfully validating different cases, the BioPA toolset was modified to use direct output of the CFD prediction and the new version can be used in evaluating biological performance at hydroelectric turbines.

13 HYDRO ENERGY↗
NASA NTRS1972

NASA technology utilization survey on composite materials

NASA and NASA-funded contractor contributions to the field of composite materials are surveyed. Existing and potential non-aerospace applications of the newer composite materials are emphasized. Economic factors for selection of a composite for a particular application are weight savings, performance (high strength, high elastic modulus, low coefficient of expansion, heat resistance, corrosion resistance,), longer service life, and reduced maintenance. Applications for composites in agriculture, chemical and petrochemical industries, construction, consumer goods, machinery, power generation and distribution, transportation, biomedicine, and safety are presented. With the continuing trend toward further cost reductions, composites warrant consideration in a wide range of non-aerospace applications. Composite materials discussed include filamentary reinforced materials, laminates, multiphase alloys, solid multiphase lubricants, and multiphase ceramics. New processes developed to aid in fabrication of composites are given.

Leeds, M. A.↗
NASA NTRS1976

Singularity computations

An approach is described for singularity computations based on a numerical method for elastoplastic flow to delineate radial and angular distribution of field quantities and measure the intensity of the singularity. The method is applicable to problems in solid mechanics and lends itself to certain types of heat flow and fluid motion studies. Its use is not limited to linear, elastic, small strain, or two-dimensional situations.

Swedlow, J. L.↗
NASA NTRS1982

Tenth NASTRAN User's Colloquium

The development of the NASTRAN computer program, a general purpose finite element computer code for structural analysis, was discussed. The application and development of NASTRAN is presented in the following topics: improvements and enhancements; developments of pre and postprocessors; interactive review system; the use of harmonic expansions in magnetic field problems; improving a dynamic model with test data using Linwood; solution of axisymmetric fluid structure interaction problems; large displacements and stability analysis of nonlinear propeller structures; prediction of bead area contact load at the tire wheel interface; elastic plastic analysis of an overloaded breech ring; finite element solution of torsion and other 2-D Poisson equations; new capability for elastic aircraft airloads; usage of substructuring analysis in the get away special program; solving symmetric structures with nonsymmetric loads; evaluation and reduction of errors induced by Guyan transformation.

Source record↗
NASA NTRS1988

Dynamic compensation in the central Pacific Ocean

The intermediate-wavelength geoid (lambda similar to 2000 km) and sea-floor topography fields in the central Pacific Ocean were studied in terms of static and dynamic compensation models. Topographic features on the sea-floor with lambda less than 1000 km were found to be compensated both regionally, by the elastic strength of the lithosphere, and locally, by displacing mantle material to reach isostatic adjustment. The larger-scale sea-floor topography and the corresponding geoid anomalies with lambda similar to 2000 km cannot be explained by either local or regional compensation. The topography and the resulting geoid anomaly at this wavelength were modeled by considering the dynamic effects arising from viscous stresses in a layer of fluid with a highly temperature-dependent viscosity for the cases of: (1) surface cooling, and (2) basal heating. In this model, the mechanical properties of the elastic part of the lithosphere were taken into account by considering an activation energy of about 520 kJ/mol in the Arrhenius law for the viscosity. Numerical predictions of the topography, total geoid anomaly, and admittance were obtained, and the results show that the thermal perturbation in the layer, which accounts for the mass deficit, must be located close to the surface to compensate the gravitational effect of the surface deformation. For the case of basal heating, the temperature dependence of viscosity results in a separation of the upper, quasi-rigid lid from the lower mobile fluid, hence inhibiting the development of a compensating thermal perturbation at shallow depths. The results clearly rule out small-scale, upper-mantle convection as the source of these anomalies. Instead, the geophysical observables can be well explained by a shallow, transient thermal perturbation.

Hinojosa, Juan Homero↗