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At least 217 records · Page 12

In-Field Diffuse Ultraviolet Spectroscopy and Imaging of the Stardust Sample Return Capsule

In-field diffuse Ultraviolet (UV) spectroscopy and imaging systems were developed for the purposes of evaluating the surface chemical composition of spacecraft thermal control coatings and materials. The investigation of these systems and the compilation of an associated UV reflectance and luminescence database were conducted using the Stardust Sample Return Capsule (SRC), located at the Johnson Space Center. Spectral responses of the surfaces of the Stardust forebody and aftbody in both reflectance and fluorescence modes were examined post-flight. In this paper, we report on two primary findings of in-field diffuse UV spectroscopy and imaging: (1) deduction of the thermal history of thermal control coatings of the forebody and (2) bond line variations in the aftbody. In the forebody, the thermal history of thermal control coatings may be deduced from the presence of particular semiconducting defect states associated with ZnO, a common emissivity constituent in thermal control coatings. A spatial dependence of this history was mapped for these regions. In the aftbody, luminescing defect states, associated with Si and SiO2 color centers were found along regions of bond variability.

Pugel, D. Elizabeth↗

Competition between magnetic order and charge localization in Na 2 IrO 3 thin crystal devices thin crystal devices

Spin orbit assisted Mott insulators such as sodium iridate (Na 2 IrO 3 ) have been an important subject of study in recent years. In these materials, the interplay of electronic correlations, spin-orbit coupling, crystal field effects, and a honeycomb arrangement of ions bring exciting ground states, predicted in the frame of the Kitaev model. The insulating character of Na 2 IrO 3 has hampered its integration to an electronic device, desirable for applications, such as the manipulation of quasiparticles interesting for topological quantum computing. Here we show through electronic transport measurements supported by angle-resolved photoemission spectroscopy (ARPES) experiments, that electronic transport in Na 2 IrO 3 is ruled by variable range hopping and it is strongly dependent on the magnetic ordering transition known for bulk Na 2 IrO 3 , as well as on external electric fields. Furthermore, electronic transport measurements allow us to deduce a value for the localization length and the density of states in our Na 2 IrO 3 thin crystal devices, and offer an alternative approach to study insulating 2D-materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A comparison of model validation approaches for echo state networks using climate model replicates

As global temperatures continue to rise, climate mitigation strategies such as stratospheric aerosol injections (SAI) are increasingly discussed, but the downstream effects of these strategies are not well understood. As such, there is interest in developing statistical methods to quantify the evolution of climate variable relationships during the time period surrounding an SAI. Feature importance applied to echo state network (ESN) models has been proposed as a way to understand the effects of SAI using a data-driven model. This approach depends on the ESN fitting the data well. If not, the feature importance may place importance on features that are not representative of the underlying relationships. Typically, time series prediction models such as ESNs are assessed using out-of-sample performance metrics that divide the times series into separate training and testing sets. However, this model assessment approach is geared towards forecasting applications and not scenarios such as the motivating SAI example where the objective is using a data driven model to capture variable relationships. Here, in this paper, we demonstrate a novel use of climate model replicates to investigate the applicability of the commonly used repeated hold-out model assessment approach for the SAI application. Simulations of an SAI are generated using a simplified climate model, and different initialization conditions are used to provide independent training and testing sets containing the same SAI event. The climate model replicates enable out-of-sample measures of model performance, which are compared to the single time series hold-out validation approach. For our case study, it is found that the repeated hold-out sample performance is comparable, but conservative, to the replicate out-of-sample performance when the training set contains enough time after the aerosol injection.

54 ENVIRONMENTAL SCIENCES↗

A directional microcrack damage theory for brittle solids based on continuous hyperplasticity

We present a novel microcrack-damage theory for brittle solids under compression. Instead of using internal variables like zeroth, second or fourth rank damage tensors, the state of material damage is represented by an internal function that encapsulates the information of direction, density and size of microcracks. Just like other internal variables, the evolution of this state function must obey the second law of thermodynamics for arbitrary loading paths. This is done by casting the model in the framework of continuous hyperplasticity and enforcing a non-negative dissipation rate functional. The proposed framework offers predictions on the continuous evolution of microcrack density and the induced material anisotropy along with the macroscopic stress-strain curves. The use of continuous damage function grants the model significantly enhanced resolution in characterizing the direction-dependent response of cracked solids compared to classical models that are based on damage tensors. Two scenarios are considered in developing the theory, one assumes frictionless cracks and the other incorporates friction between crack surfaces. The results highlight that inelasticity, pressure dependence, and loading-unloading hysteresis exhibited by brittle solids are natural consequences of frictional microcracks. The proposed theory offers a generic and versatile framework to upscale micromechanical processes operating at individual crack scale to explain the macroscopic behavior of cracked solids.

Materials Science↗

Strength and ductility of additively manufactured 316L stainless steel: Impact of neutron irradiation and data variability

Here, this article presents the mechanical properties of additively manufactured (AM) 316L stainless steel processed via the laser powder bed fusion (LPBF) method, focusing on the effects of neutron irradiation on mechanical properties and the variability in strength and ductility data. The rapid melting-solidification process and multiple heating-cooling cycles inherent in LPBF typically result in a fine, metastable microstructure with significant local variability. AM 316L builds of varying thicknesses were fabricated, and SS-J3 miniature tensile specimens were machined from six different locations. These specimens were irradiated with fast neutrons to doses of 2 and 10 dpa at target temperatures of 300 °C and 600 °C. Post-irradiation tensile tests were conducted at room temperature, 300 °C, and 600 °C. Compared to conventional 316L stainless steel, AM 316L exhibited higher initial strength but lower ductility. Irradiation at 300 °C caused significant hardening and prompt necking at yield, with limited uniform ductility, although embrittlement was not observed up to 10 dpa. While neutron irradiation, particularly at 600 °C, increased the variability in strength and ductility data, no clear dependence of mechanical properties on build thickness or sampling location was found—contrary to the conventional perception that AM materials may exhibit high property variability. Furthermore, we observed that the variability in property data for LPBF-processed 316L was relatively low compared to that of wrought 316L stainless steel. This reduced variability in AM 316L steel may be attributed to its highly metastable, stress-containing microstructure, which is discussed in the context of general tensile property variations.

Additively manufactured 316L stainless steel↗

Impact of amorphous pockets on displacement damage evolution in silicon

Silicon has long been known to exhibit amorphization in response to heavy particle bombardment. For doses below the total amorphization threshold, partial amorphization is observed in the form of scattered amorphous pockets. While extensive research has gone into modeling the formation and evolution of amorphous pockets in response to irradiation, no studies yet investigate their impact on the evolution of other damage such as interstitial supersaturation and clustering. In this study, we survey the impact of amorphous pockets on defect evolution in silicon when treated as static sinks. MD is first used to show that amorphous pockets provide energetically favorable sites for point defects relative to the crystalline bulk, supporting the hypothesis that they act as sinks. A 0-D cluster dynamics model is then constructed, taking an interstitial clustering model from the literature and including amorphous pockets as a sink species. We conduct our survey for temperatures between 30 and 400 °C and sink strengths between 1 to 6 x 10 10 cm −2 . Both implantation- and radiation-induced damage states are investigated using interstitial and vacancy concentrations as initial condition variables. We find that, due to the differing migration rates of the interstitial and the vacancy, amorphous pockets have a non-monotonic impact on the final damage state depending on the effective sink strength of the amorphous pockets, resulting in increased damage formation in regimes of intermediate amorphization. In conclusion, this result emphasizes the important role of amorphous pockets in governing the evolution of damage in partially amorphized crystalline materials.

36 MATERIALS SCIENCE↗

Development of a pulsed, variable-energy positron beam for atomic scale defect studies

Positron annihilation spectroscopy provides a sensitive means of non-destructive characterization of materials, capable of probing single atom vacancies in solids with 10 –7 sensitivity. Here, in this work, we detail the development of a magnetically guided, variable energy, pulsed positron beam designed to conduct depth-dependent defect studies in metals, semiconductors, and dielectrics, which will be the first of its kind in the United States. The design of the target stage provides capabilities for measurements during in situ annealing up to 800 °C and incorporates a new approach to minimize the background due to energetic backscattered positrons. The developed beam at Bowling Green State University provides a powerful tool for characterization of thin films, devices, and ion irradiated materials.

47 OTHER INSTRUMENTATION↗

Volume 2: Explicit, multistage upwind schemes for Euler and Navier-Stokes equations

The objective of this study was to develop a high-resolution-explicit-multi-block numerical algorithm, suitable for efficient computation of the three-dimensional, time-dependent Euler and Navier-Stokes equations. The resulting algorithm has employed a finite volume approach, using monotonic upstream schemes for conservation laws (MUSCL)-type differencing to obtain state variables at cell interface. Variable interpolations were written in the k-scheme formulation. Inviscid fluxes were calculated via Roe's flux-difference splitting, and van Leer's flux-vector splitting techniques, which are considered state of the art. The viscous terms were discretized using a second-order, central-difference operator. Two classes of explicit time integration has been investigated for solving the compressible inviscid/viscous flow problems--two-state predictor-corrector schemes, and multistage time-stepping schemes. The coefficients of the multistage time-stepping schemes have been modified successfully to achieve better performance with upwind differencing. A technique was developed to optimize the coefficients for good high-frequency damping at relatively high CFL numbers. Local time-stepping, implicit residual smoothing, and multigrid procedure were added to the explicit time stepping scheme to accelerate convergence to steady-state. The developed algorithm was implemented successfully in a multi-block code, which provides complete topological and geometric flexibility. The only requirement is C degree continuity of the grid across the block interface. The algorithm has been validated on a diverse set of three-dimensional test cases of increasing complexity. The cases studied were: (1) supersonic corner flow; (2) supersonic plume flow; (3) laminar and turbulent flow over a flat plate; (4) transonic flow over an ONERA M6 wing; and (5) unsteady flow of a compressible jet impinging on a ground plane (with and without cross flow). The emphasis of the test cases was validation of code, and assessment of performance, as well as demonstration of flexibility.

Elmiligui, Alaa↗

A Second Law Based Unstructured Finite Volume Procedure for Generalized Flow Simulation

An unstructured finite volume procedure has been developed for steady and transient thermo-fluid dynamic analysis of fluid systems and components. The procedure is applicable for a flow network consisting of pipes and various fittings where flow is assumed to be one dimensional. It can also be used to simulate flow in a component by modeling a multi-dimensional flow using the same numerical scheme. The flow domain is discretized into a number of interconnected control volumes located arbitrarily in space. The conservation equations for each control volume account for the transport of mass, momentum and entropy from the neighboring control volumes. In addition, they also include the sources of each conserved variable and time dependent terms. The source term of entropy equation contains entropy generation due to heat transfer and fluid friction. Thermodynamic properties are computed from the equation of state of a real fluid. The system of equations is solved by a hybrid numerical method which is a combination of simultaneous Newton-Raphson and successive substitution schemes. The paper also describes the application and verification of the procedure by comparing its predictions with the analytical and numerical solution of several benchmark problems.

Majumdar, Alok↗

Understanding Resilience Optimization Architectures With an Optimization Problem Repository

Optimizing a system’s resilience can be challenging, especially when it involves considering both the inherent resilience of a robust design and the active resilience of a health management system to a set of computationally-expensive hazard simulations. While prior work has developed specialized architectures to effectively and efficiently solve combined design and resilience optimization problems, the comparison of these architectures has been limited to a single case study. To further study resilience optimization formulations, this work develops a problem repository which includes previously-developed resilience optimization problems and additional problems presented in this work: a notional system resilience model, a pandemic response model, and a cooling tank hazard prevention model. This work then uses models in the repository at large to understand the characteristics of resilience optimization problems and study the applicability of optimization architectures and decomposition strategies. Based on the comparisons in the repository, applying an optimization architecture effectively requires understanding the alignment and coupling relationships between the design and resilience models, as well as the efficiency characteristics of the algorithms. While alignment determines the necessity of a surrogate of resilience cost in the upper-level design problem, coupling determines the overall applicability of a sequential, alternating, or bilevel structure. Additionally, the application of decomposition strategies is dependent on there being limited interactions between variable sets, which often does not hold when a resilience policy is parameterized in terms of actions to take in hazardous model states rather than specific given scenarios.

Resilience↗

Integrated Thermal Energy Storage System for Air-Conditioners with Phase-Change Composites

Thermal energy storage (TES) is a promising solution to store and dispatch energy and shave peak electric load, reducing the operational cost of HVAC systems. We present results of a TES system using phase-change materials (PCM) integrated with an air conditioner. The proposed system uses an organic PCM (tetradecane) encapsulated within compressed expanded natural graphite foams referred to as phase-change composite. The graphite foam encapsulates the PCM eliminating the need for expensive storage vessels, reduces installation costs, and provides higher thermal conductivity that can lead to faster charge/discharge rates. Two serpentines, multi-pass circuits, operating as a heat source and a sink, exchange heat to and from the phase-change composite. These two circuits are embedded in multiple slabs of this material. The "charge" circuit contains the refrigerant that is directly coupled to a vapor compression system, and the "discharge" circuit removes heat from an airstream and releases it into the PCM composite through a water-glycol liquid coupling. This configuration allows for multiple modes of operation depending on the state of charge of the thermal energy storage module, the building air-conditioning load, and the current electricity and demand charges. This flexible operation allows variable air volume capacity control without the need to have a variable capacity refrigeration system. We developed a 21 kW-hr (6 RT-hr) prototype TES system coupled with a commercial air-conditioner to characterize the component-and system-level performance.

air-conditioning↗

Converging towards atomic and nuclear pressures (Final Report)

his report details the development of transformational tools and techniques, allowing the accurate characterization of matter at the most extreme conditions yet studied in the high energy density (HED) domain. Before this work, most experiments quantitatively mapping the nature of matter in the HED realm were performed using planar geometry, which allows for the isolation and measurement of variables in a single thermodynamic state. Such measurements include equation of state variables, optical conductivity, heat transport and more. However, due to a variety of plasma processes, such experiments are limited to below ~10 TPa (100 Mbar) pressures. To achieve higher pressures, convergent experiments are needed. Historically, convergent experiments have not been used for benchmark data because they are integral measurements. That is each part of a convergent target undergoes a time dependent wide range of states, making it difficult to accurately isolate any particular quantity for a given thermodynamic state. This effort developed innovative convergent HED platforms and techniques enabling the exploration of matter from atomic to nuclear scale pressures. This effort also performed pioneering experiments that yielded the first rigorous benchmark data at these extreme conditions. This funding award began with the overarching goal to understand the behavior of matter at extreme (atomic-to-nuclear scale) pressures. The motivation for these goals lie in the fact that every time scientists explore matter beyond the threshold of an atomic unit, there is a fundamental shift in science. The atomic unit for energy, mass, charge, length, and time have each been explored, and each time such a threshold was crossed, a new sequence of discoveries was made resulting in significant awards such as the Nobel Prize. The only unexplored atomic unit is pressure, and this effort set the course for exploring matter at and beyond such pressures. That most of the recently discovered extrasolar planets and stars, as well as matter in the late implosion stages of inertial fusion targets, have deep internal pressures at and beyond atomic pressures amplifies the importance of this effort. Much of the initial work in developing techniques to create these atomic-to-nuclear pressures already existed within the HED community, predominantly at large scale laser facilities such as the National Ignition Facility (NIF) and the Omega60 laser the University of Rochester and although these experiments were routinely performed the ability to extract information about the underlying physical states and processes remained elusive due to the complexity of the experiments, extreme scales in both time and space, and the integrated nature of all the measurements. This work built a rigorous framework so such measurements can routinely be made. This was done in part through the introduction of Bayesian inference techniques into the field of HED science. These techniques allow for the self-consistent extraction of the relevant variables and their explicit and implicit correlations, so as to make use of integrated experimental data to constrain physical models and provide accurate uncertainty bounds for the data. The techniques developed here are fully transparent and proved immediately useful providing quantitative rigorous benchmarks for physical states and processes at some of the most extreme conditions yet explored on Earth. This funding is directly or partly responsible for 7 publications in major peer-reviewed scientific journals, a doctoral thesis, 3 invited talks at major conferences, and the training of a post-doc, 2 graduate students, and 1 undergraduate student. Beyond the effort supported by this award launched the introduction of Bayesian inference into the HED physics community and helped push the usage if modern data-science techniques within the physics community at large.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Pressure- and buoyancy-driven thermal convection in a rectangular enclosure

Results are presented for unsteady laminar thermal convection in compressible fluids at various reduced levels of gravity in a rectangular enclosure which is heated on one side and cooled on the opposite side. The results were obtained by solving numerically the equations of conservation for a viscous, compressible, heat-conducting, ideal gas in the presence of a gravitational body force. The formulation differs from the Boussinesq simplification in that the effects of variable density are completely retained. A conservative, explicit, time-dependent, finite-difference technique was used and good agreement was found for the limited cases where direct comparison with previous investigations was possible. The solutions show that the thermally induced motion is acoustic in nature at low levels of gravity and that the unsteady-state rate of heat transfer is thereby greatly enhanced relative to pure conduction. The nonlinear variable density profile skews the streamlines towards the cooler walls but is shown to have little effect on the steady-state isotherms.

Spradley, L. W.↗

Time‐Dependent Weakening of Granite at Hydrothermal Conditions

Abstract The evolution of a fault's frictional strength during the interseismic period is a critical component of the earthquake cycle, yet there have been relatively few studies that examine the time‐dependent evolution of strength at conditions representative of seismogenic depths. Using a simulated fault in Westerly granite, we examined how frictional strength evolves under hydrothermal conditions up to 250°C during slide‐hold‐slide experiments. At temperatures ≤100°C, frictional strength generally increases with hold duration but, at 200 and 250°C, an initial increase in strength transitions to rapid time‐dependent weakening for holds longer than 14 hr. Forward modeling of long hold periods at 250°C using the rate and state friction constitutive equations requires a second, strongly negative, state variable with a long evolution distance. This implies that significant hydrothermal alteration is occurring at 250°C, consistent with microstructural observations of dissolution and secondary mineral precipitation.

Geology↗

A regression algorithm for accelerated lattice QCD that exploits sparse inference on the D-Wave quantum annealer

We propose a regression algorithm that utilizes a learned dictionary optimized for sparse inference on a D-Wave quantum annealer. In this regression algorithm, we concatenate the independent and dependent variables as a combined vector, and encode the high-order correlations between them into a dictionary optimized for sparse reconstruction. On a test dataset, the dependent variable is initialized to its average value and then a sparse reconstruction of the combined vector is obtained in which the dependent variable is typically shifted closer to its true value, as in a standard inpainting or denoising task. Here, a quantum annealer, which can presumably exploit a fully entangled initial state to better explore the complex energy landscape, is used to solve the highly non-convex sparse coding optimization problem. The regression algorithm is demonstrated for a lattice quantum chromodynamics simulation data using a D-Wave 2000Q quantum annealer and good prediction performance is achieved. The regression test is performed using six different values for the number of fully connected logical qubits, between 20 and 64. The scaling results indicate that a larger number of qubits gives better prediction accuracy.

97 MATHEMATICS AND COMPUTING↗

Explicit 3D continuum fracture modeling with smooth particle hydrodynamics

Impact phenomena shaped our solar system. As usual for most solar system processes, the scales are far different than we can address directly in the laboratory. Impact velocities are often much higher than we can achieve, sizes are often vastly larger, and most impacts take place in an environment where the only gravitational force is the mutual pull of the impactors. The Smooth Particle Hydrodynamics (SPH) technique has been applied in the past to the simulations of giant impacts. In these simulations, the colliding objects were so massive (at least a sizeable fraction of the Earth's mass) that material strength was negligible compared to gravity. This assumption can no longer be made when the bodies are much smaller. To this end, we have developed a 3D SPH code that includes a strength model to which we have added a von Mises yielding relation for stresses beyond the Hugoniot Elastic Limit. At the lower stresses associated with brittle failure, we use a rate-dependent strength based on the nucleation of incipient flaws whose number density is given by a Weibull distribution. Following Grady and Kipp and Melosh et al., we introduce a state variable D ('damage'), 0 less than D less than 1, which expresses the local reduction in strength due to crack growth under tensile loading. Unfortunately for the hydrodynamics, Grady and Kipp's model predicts which fragments are the most probable ones and not the ones that are really formed. This means, for example, that if a given laboratory experiment is modeled, the fragment distribution obtained from the Grady-Kipp theory would be equivalent to a ensemble average over many realizations of the experiment. On the other hand, the hydrodynamics itself is explicit and evolves not an ensemble average but very specific fragments. Hence, there is a clear incompatibility with the deterministic nature of the hydrodynamics equations and the statistical approach of the Grady-Kipp dynamical fracture model. We remedy these shortcomings by making the incipient flaw distribution explicit, i.e., particles carry activation strains which are distributed at random with a probability of occurrence given by the Weibull distribution. If the local principal axis strain exceeds this limit, damage starts to grow. By growing explicit cracks together with statistical cracks (damage) at the sub-particle scale, we ensure that material strength and fragmentation is independent of model resolution. We tested our scheme by simulating laboratory impact experiments on basalt spheres.

Benz, W.↗

Incorporation of Mean Stress Effects into the Micromechanical Analysis of the High Strain Rate Response of Polymer Matrix Composites

The results presented here are part of an ongoing research program, to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to high strain rate impact loads. A micromechanics approach is employed in this work, in which state variable constitutive equations originally developed for metals have been modified to model the deformation of the polymer matrix, and a strength of materials based micromechanics method is used to predict the effective response of the composite. In the analysis of the inelastic deformation of the polymer matrix, the definitions of the effective stress and effective inelastic strain have been modified in order to account for the effect of hydrostatic stresses, which are significant in polymers. Two representative polymers, a toughened epoxy and a brittle epoxy, are characterized through the use of data from tensile and shear tests across a variety of strain rates. Results computed by using the developed constitutive equations correlate well with data generated via experiments. The procedure used to incorporate the constitutive equations within a micromechanics method is presented, and sample calculations of the deformation response of a composite for various fiber orientations and strain rates are discussed.

Goldberg, Robert K.↗