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At least 1,531 records · Page 85

Massively parallel transport sweeps on meshes with cyclic dependencies

When solving the first-order form of the linear Boltzmann equation, a common misconception is that the matrix-free computational method of “sweeping the mesh”, used in conjunction with the Discrete Ordinates method, is too complex or does not scale well enough to be implemented in modern high performance computing codes. This has led to considerable efforts in the development of matrix-based methods that are computationally expensive and is partly driven by the requirements placed on modern spatial discretizations. In particular, modern transport codes are required to support higher order elements, a concept that invariably adds a lot of complexity to sweeps because of the introduction of cyclic dependencies with curved mesh cells. In this article we will present a comprehensive implementation of sweeping, to a piecewise-linear DFEM spatial discretization with particular focus on handling cyclic dependencies and possible extensions to higher order spatial discretizations. We find that these methods are implemented in a new C++ simulation framework called Chi-Tech (). We present some typical simulation results with some performance aspects that one can expect during real world simulations, we also present a scaling study to >100k processes where Chi-Tech maintains greater than 80% efficiency solving a total of 87.7 trillion angular flux unknowns for a 116 group simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electronic readout systems for microchannel plates

The modes of operation of position-sensitive electronic readout systems which use high-gain microchannel plate (MCP) electron multipliers are described, and their performance characteristics, along with those of the MCP, are compared. Among the structures presented are the wedge-and-strip, Codacon, and multilayer coincidence-anode MAMA (Multimode Microchannel Array) arrays. Spatial resolution of 25 x 25 sq microns (coincidence anode arrays) is achieved with an array format of 256 x 1024 pixels. On the basis of the performance data it is concluded that the readout systems using only conducting electrodes offer the best performance characteristics.

Timothy, J. G.↗

The Bright Side and Dark Side of Hybrid Organic–Inorganic Perovskites

The previously developed bistable amphoteric native defect (BAND) model is used for a comprehensive explanation of the unique photophysical properties and for understanding the remarkable performance of perovskites as photovoltaic materials. It is shown that the amphoteric defects in the donor (acceptor) configuration capture a fraction of photoexcited electrons (holes) dividing them into two groups: higher-energy bright and lower-energy dark electrons (holes). The spatial separation of the dark electrons and dark holes and the k-space separation of the bright and dark charge carriers reduce electron-hole recombination rates, emulating the properties of an ideal photovoltaic material with a balanced, spatially separated transport of electrons and holes. The BAND model also offers a straightforward explanation for the exceptional insensitivity of the photovoltaic performance of polycrystalline perovskite films to structural and optical inhomogeneities. The blue-shifted radiative recombination of bright electrons and holes results in a large anti-Stokes effect that provides a quantitative explanation for the spectral dependence of the laser cooling effect measured in perovskite platelets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coupling Remote Sensing With a Process Model for the Simulation of Rangeland Carbon Dynamics

Rangelands provide significant environmental benefits through many ecosystem services, which may include soil organic carbon (SOC) sequestration. However, quantifying SOC stocks and monitoring carbon (C) fluxes in rangelands are challenging due to the considerable spatial and temporal variability tied to rangeland C dynamics as well as limited data availability. We developed the Rangeland Carbon Tracking and Management (RCTM) system to track long-term changes in SOC and ecosystem C fluxes by leveraging remote sensing inputs and environmental variable data sets with algorithms representing terrestrial C-cycle processes. Bayesian calibration was conducted using quality-controlled C flux data sets obtained from 61 Ameriflux and NEON flux tower sites from Western and Midwestern US rangelands to parameterize the model according to dominant vegetation classes (perennial and/or annual grass, grass-shrub mixture, and grass-tree mixture). The resulting RCTM system produced higher model accuracy for estimating annual cumulative gross primary productivity (GPP) (R 2 > 0.6, RMSE <390 g C m -2 ) relative to net ecosystem exchange of CO 2 (NEE) (R 2 > 0.4, RMSE <180 g C m -2 ). Model performance in estimating rangeland C fluxes varied by season and vegetation type. The RCTM captured the spatial variability of SOC stocks with R 2 = 0.6 when validated against SOC measurements across 13 NEON sites. Model simulations indicated slightly enhanced SOC stocks for the flux tower sites during the past decade, which is mainly driven by an increase in precipitation. Future efforts to refine the RCTM system will benefit from long-term network-based monitoring of vegetation biomass, C fluxes, and SOC stocks.

54 ENVIRONMENTAL SCIENCES↗

Spatial Mapping of Chiral-Induced Spin Selectivity in Chiral Perovskite via Spin-Schottky Junction

Chiral halide perovskite (c-HP) semiconductors exhibit on average a large chiral-induced spin selectivity (CISS) effect. Nevertheless, the microscopic details of CISS and its integration in opto-spintronic constructs remain nascent. Reliable reporting of CISS performance characteristics represents a significant challenge in providing the necessary design rules. We show a Kelvin probe force microscopy (KPFM) method that can quantitatively evaluate and spatially map the chirality-dependent surface contact potential difference resulting from the formation of a spin-Schottky junction. We revealed inhomogeneity in the CISS response, where low-CISS regions in the c-HP films reduce the overall macroscopic average, likely serving as a key factor in optimizing macroscopic performance. We also observed that although c-HP films made from higher precursor concentrations lead to thicker films and higher carrier concentrations with subsequent larger barrier heights in the Schottky junction, stronger spin relaxation due to non-ideal film quality reduces spin polarization.

14 SOLAR ENERGY↗

Spatial profiles of photon chemical potential in near-field thermophotovoltaic cells

Emitted photons stemming from the radiative recombination of electron–hole pairs carry chemical potential in radiative energy converters. This luminescent effect can substantially alter the local net photogeneration in near-field thermophotovoltaic cells. Several assumptions involving the luminescent effect are commonly made in modeling photovoltaic devices; in particular, the photon chemical potential is assumed to be zero or a constant prescribed by the bias voltage. The significance of photon chemical potential depends upon the emitter temperature, the semiconductor properties, and the injection level. Hence, these assumptions are questionable in near-field thermophotovoltaic devices with nanoscale separation distances between the emitter and the cell. In the present work, an iterative solver that combines fluctuational electrodynamics with the drift-diffusion model is developed to tackle the coupled photon and charge transport problem, enabling the determination of the spatial profile of photon chemical potential beyond the detailed balance approach. Here, the difference between the results obtained by allowing the photon chemical potential to vary spatially and by assuming a constant value demonstrates the limitations of the conventional approaches. This study is critically important for performance evaluation of near-field thermophotovoltaic systems with nanoscale vacuum gaps.

30 DIRECT ENERGY CONVERSION↗

Spatial learning and memory deficits induced by exposure to iron-56-particle radiation

It has previously been shown that exposing rats to particles of high energy and charge (HZE) disrupts the functioning of the dopaminergic system and behaviors mediated by this system, such as motor performance and an amphetamine-induced conditioned taste aversion; these adverse behavioral and neuronal effects are similar to those seen in aged animals. Because cognition declines with age, spatial learning and memory were assessed in the Morris water maze 1 month after whole-body irradiation with 1.5 Gy of 1 GeV/nucleon high-energy (56)Fe particles, to test the cognitive behavioral consequences of radiation exposure. Irradiated rats demonstrated cognitive impairment compared to the control group as seen in their increased latencies to find the hidden platform, particularly on the reversal day when the platform was moved to the opposite quadrant. Also, the irradiated group used nonspatial strategies during the probe trials (swim with no platform), i.e. less time spent in the platform quadrant, fewer crossings of and less time spent in the previous platform location, and longer latencies to the previous platform location. These findings are similar to those seen in aged rats, suggesting that an increased release of reactive oxygen species may be responsible for the induction of radiation- and age-related cognitive deficits. If these decrements in behavior also occur in humans, they may impair the ability of astronauts to perform critical tasks during long-term space travel beyond the magnetosphere.

NASA Program Biomedical Research and Countermeasur↗

Legacy surface change analyses of the 1993 Rock Valley earthquake sequence for direct comparison to planned NA-22 underground conventional high-explosive experiments (Source Physics Experiment 3 (SPE3) - RV/DC Task 1.3 FY22 Final Report)

Recent work under two previous phases of the NNSA NA-22 Source Physics Experiment (SPE) have shown that underground chemical high-explosive experiments can produce detectable surface changes that differ in spatial extent and vertical magnitude depending on the geologic media at the site (Schultz-Fellenz et al., 2018; 2020; Crawford et al., 2021). Neither of these two prior phases of SPE identified natural earthquake-related surface effects in the same region that occurred at a similar depth as the explosive experiments for direct comparison. While earthquakes can also produce surface changes that are detectable using remote sensing data analyses, it is expected that the pattern and spatial extent of surface changes would vary between earthquakes and explosions. However, no direct-observed surface-change signature comparison between earthquakes and explosions has ever been performed. The SPE Phase 3 Rock Valley/Direct Comparison (RV/DC) program presents a unique opportunity to investigate and characterize co-occurrence of both earthquakes and explosions. In this project, we worked to address five tasks in a workflow, as follows: 1. Identify and obtain existing high-resolution legacy satellite and aerial imagery as close in time before and after the 1993 Rock Valley earthquake sequence to temporally constrain the analyses. 2. Transform these pre-earthquake and post-earthquake datasets into digital elevation models (DEMs) using geospatial analysis software packages (e.g., ArcGIS, Agisoft Metashape, and Google Earth Engine). 3. Perform DEM differencing analyses to assess and quantify earthquake-related changes from the 1993 sequence, and develop map products that visualize these analyses. 4. Use the analyses from (3) to: (a) assess spatial distribution and magnitude of surface changes due to the 1993 Rock Valley earthquake sequence, and (b) determine parameters of forthcoming, planned explosion-related surface change data collection from sensors mounted on unmanned aerial vehicles (UAVs) (e.g., spatial extent of collection, design and density of survey control, sensors to deploy, forward speed and line spacing of UAV flight lines, flight altitude). 5. Develop a summary report on the analyses, including how the analyses define parameters and identify focus areas for any future surface change analytical field campaigns related to the explosive experiment. Analyzing these legacy data and identifying whether they can detect any surface changes related to the earthquake sequence facilitates opportunities for direct signature comparison of surface change from explosions at one location, which has never previously been performed. Comparing the surface change signatures from a co-located and depth-equivalent earthquake and an explosion could help to advance remote sensing event discrimination techniques. This report summarizes the work completed toward this ambitious goal.

42 ENGINEERING↗

Wave resource characterization at regional and nearshore scales for the U.S. Alaska coast based on a 32-year high-resolution hindcast

A wave resource characterization was performed for the southern coast of Alaska based on a 32-year hindcast covering the period from 1979 to 2010. The characterization closely followed International Electrotechnical Commission (IEC) Technical Specifications. An unstructured-grid Simulating WAves Nearshore (SWAN) model, which had an approximate spatial resolution of 300 m within 30 km from the nearest shoreline, was developed. Additionally, extensive model validation and error characterization was performed. The model was found to perform well with an average absolute percent error of 8.6% in significant wave height, averaged over 18 buoys. Statistics for the six IEC wave resource parameters were calculated and aggregated at 20 km from shore to quantify the incident wave power and its variability at a regional scale. The southern coast of the Aleutian Archipelago was found to have the most available wave energy in the region. A nearshore resource assessment was performed by evaluating resource hotspots located 1 km from shore. More than 900 nearshore stations had an Optimum Hotspot Identifier value of 5 (kW/m) at diverse water depths, thereby positioning Alaska as a promising location for wave energy development.

54 ENVIRONMENTAL SCIENCES↗

Role of scan strategies on thermal gradient and solidification rate in electron beam powder bed fusion

Local microstructure control in electron beam powder bed fusion (EB-PBF) is of great interest to the additive manufacturing community to realize complex part geometry with targeted performance. The local microstructure control relies on having a detailed understanding of local melt pool physics (e.g., 3-D melt pool shape as well as spatial and temporal variations of thermal gradient (G) and solidification rate (R)). In this research, a new scan strategy referred to as ghost beam is numerically evaluated as a candidate to achieve the targeted G and R of IN718 alloy. The boundary conditions for simulations, including the speed (490 mm/s) and spatial locations of the beam within a given layer, are obtained by using series of snapshot images, recorded at 12,000 frames per second, using a high-speed camera. The heat transfer simulations were performed using TRUCHAS an open-source software deployed within a high-performance computational infrastructure. The simulation results showed that reheating at short beam on-time and time delay decreases both G and R. Local variation of R at the center of the melt pool trailing edge showed periodic temporal fluctuations. Finally, the ghost beam scan strategy was compared to other existing raster and spot scan strategies.

36 MATERIALS SCIENCE↗

Spatially-resolved measurements of spin valley polarization in MOCVD-grown monolayer WSe 2

Time-resolved Kerr rotation microscopy is used to generate and measure spin valley polarization in MOCVD-grown monolayer tungsten diselenide (WSe 2 ). The Kerr signal reveals bi-exponential decay with time constants of 100 ps and 3 ns. Measurements are performed on several triangular flakes from the same growth cycle and reveal larger spin valley polarization near the edges of the flakes. This spatial dependence is observed across multiple WSe 2 flakes in the Kerr rotation measurements but not in the spatially resolved reflectivity or microphotoluminescence data. Time-resolved pump-probe overlap measurements further reveal that the Kerr signal’s spatial dependence is not due to spin diffusion on the nanosecond timescale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Framework for Orbital Performance Evaluation in Distributed Space Missions for Earth Observation

Distributed Space Missions (DSMs) are gaining momentum in their application to earth science missions owing to their unique ability to increase observation sampling in spatial, spectral and temporal dimensions simultaneously. DSM architectures have a large number of design variables and since they are expected to increase mission flexibility, scalability, evolvability and robustness, their design is a complex problem with many variables and objectives affecting performance. There are very few open-access tools available to explore the tradespace of variables which allow performance assessment and are easy to plug into science goals, and therefore select the most optimal design. This paper presents a software tool developed on the MATLAB engine interfacing with STK, for DSM orbit design and selection. It is capable of generating thousands of homogeneous constellation or formation flight architectures based on pre-defined design variable ranges and sizing those architectures in terms of predefined performance metrics. The metrics can be input into observing system simulation experiments, as available from the science teams, allowing dynamic coupling of science and engineering designs. Design variables include but are not restricted to constellation type, formation flight type, FOV of instrument, altitude and inclination of chief orbits, differential orbital elements, leader satellites, latitudes or regions of interest, planes and satellite numbers. Intermediate performance metrics include angular coverage, number of accesses, revisit coverage, access deterioration over time at every point of the Earth's grid. The orbit design process can be streamlined and variables more bounded along the way, owing to the availability of low fidelity and low complexity models such as corrected HCW equations up to high precision STK models with J2 and drag. The tool can thus help any scientist or program manager select pre-Phase A, Pareto optimal DSM designs for a variety of science goals without having to delve into the details of the engineering design process.

Earth Science↗

Effect of Under-Resolved Grids on High Order Methods

There has been much discussion on verification and validation processes for establishing the credibility of CFD simulations. Since the early 1990s, many of the aeronautical and mechanical engineering related reference journals mandated that any accepted articles in numerical simulations (without known solutions to compared with) need to perform a minimum of one level of grid refinement and time step reduction. Due to the difficulty in analysis, the effect of under-resolved grids and the nonlinear behavior of available spatial discretizations, are scarcely discussed in the literature. Here, an under-resolved numerical simulation is one where the grid spacing being used is too coarse to resolve the smallest physically relevant scales of the chosen continuum governing equations that are of interest to the numerical modeler. With the advent of new developments in fourth-order or higher spatial schemes, it has become common to regard high order schemes as more accurate, reliable and require less grid points. The danger comes when one tries to perform computations with the coarsest grid possible while still hoping to maintain numerical results sufficiently accurate for complex flows, and especially, data-limited problems. On one hand, high order methods when applies to highly coupled multidimensional complex nonlinear problems might have different stability, convergence and reliability behavior than their well studied low order counterparts, especially for nonlinear schemes such as TVD, MUSCL with limiters, ENO, WENO and discrete Galerkin. On the other hand, high order methods involve more operation counts and systematic grid convergence study can be time consuming and prohibitively expansive. At the same time it is difficult to fully understand or categorize the different nonlinear behavior of finite discretizations, especially at the limits of under-resolution when different types of bifurcation phenomena might occur, depending on the combination of grid spacings, time steps, initial conditions and numerical treatments of boundary conditions.

Yee, H. C.↗

Validation of SMAP L2 passive-only soil moisture products using upscaled in situ measurements collected in Twente, the Netherlands

The Twente region in the east of the Netherlands has a network with twenty soil monitoring stations that has been utilized for validation of the Soil Moisture Active/Passive (SMAP) passive-only soil moisture products. Over the period from April 2015 until December 2018, seven stations covered by the SMAP reference pixels 15 have fairly complete data records. Spatially distributed soil moisture simulations with the Dutch national hydrological model have been utilized for the development of upscaling functions to translate the spatial mean of point measurements to the domain of the SMAP reference pixels. The native and upscaled spatial soil moisture means computed using the in-situ measurements have been adopted as references to assess the performance of the SMAP i) Single Channel Algorithm at Horizontal Polarization (SCA-H), ii) Single Channel Algorithm at Vertical Polarization (SCA-V), and iii) Dual Channel Algorithm (DCA) soil moisture estimates. In the case of the Twente network it was found that the SCA-V soil moisture retrieved SMAP observations collected in the afternoon had the best agreement with the native spatial mean leading to an unbiased Root Mean Squared Error (uRMSE) of 0.059 m3 m-3, whereas for the upscaled in-situ references primarily larger biases were found. These error levels are larger than the mission’s target accuracy of 0.04 m3 m-3, which can be attributed to large over- and underestimation errors (>0.08 m3 m-3) in particular at the end of dry spells and during freezing, respectively. The strong vertical dielectric gradients associated with rapid soil freezing and wetting causes the disparity in soil depth characterized by SMAP and in situ that leads to the large mismatches. Once filtered for frozen conditions and antecedent rainfall the uRMSE improves to 0.043 m3 m-3.

Rogier van der Velde↗

Separability of Mesh Bias and Parametric Uncertainty for a Full System Thermal Analysis

When making computational simulation predictions of multi-physics engineering systems, sources of uncertainty in the prediction need to be acknowledged and included in the analysis within the current paradigm of striving for simulation credibility. A thermal analysis of an aerospace geometry was performed at Sandia National Laboratories. For this analysis a verification, validation and uncertainty quantification workflow provided structure for the analysis, resulting in the quantification of significant uncertainty sources including spatial numerical error and material property parametric uncertainty. It was hypothesized that the parametric uncertainty and numerical errors were independent and separable for this application. This hypothesis was supported by performing uncertainty quantification simulations at multiple mesh resolutions, while being limited by resources to minimize the number of medium and high resolution simulations. Based on this supported hypothesis, a prediction including parametric uncertainty and a systematic mesh bias are used to make a margin assessment that avoids unnecessary uncertainty obscuring the results and optimizes computing resources.

42 ENGINEERING↗

Spatial–spectral Schroedinger embedding for target detection in hyperspectral imagery

In this work, the Schroedinger eigenmaps (SE) algorithm using spatial and spectral information has been applied to supervised classification of hyperspectral imagery (HSI). We have previously introduced the use of SE in spectral target detection problems. The original SE-based target detector was built on the spectral information encoded in the Laplacian and Schroedinger operators. The original SE-based detector is extended such that spatial connectivity of target-like pixels is explored and encoded into the Schroedinger operator using a “knowledge propagation” scheme. The modified SE-based detector is applied to two HSI data sets that share similar target materials. Receiver operating characteristic curves and rates of detection and false alarm at object level are used as quantitative metrics to assess the detector. In addition, the Schroedinger embedding performance in target detection is compared against the performances of principal component embedding and the Laplacian embedding. Finally, results show that the SE-based detector with spatial–spectral features outperforms the other considered approaches.

36 MATERIALS SCIENCE↗

Mapping the performance of a versatile water-based condensation particle counter (vWCPC) with numerical simulation and experimental study

Accurate airborne aerosol instrumentation is required to determine the spatial distribution of ambient aerosol particles, particularly when dealing with the complex vertical profiles and horizontal variations of atmospheric aerosols. A versatile water-based condensation particle counter (vWCPC) has been developed to provide aerosol concentration measurements under various environments with the advantage of reducing the health and safety concerns associated with using butanol or other chemicals as the working fluid. However, the airborne deployment of vWCPCs is relatively limited due to the lack of characterization of vWCPC performance at reduced pressures. Given the complex combinations of operating parameters in vWCPCs, modeling studies have advantages in mapping vWCPC performance. In this work, we thoroughly investigated the performance of a laminar-flow vWCPC using COMSOL Multiphysics® simulation coupled with MATLAB™. We compared it against a modified vWCPC (vWCPC model 3789, TSI, Shoreview, MN, USA). Our simulation determined the performance of particle activation and droplet growth in the vWCPC growth tube, including the supersaturation, $D$ p,kel,0 (smallest size of particle that can be activated), $D$ p,kel,50 (particle size activated with 50 % efficiency) profile, and final growth particle size D d under wide operating temperatures, inlet pressures $P$ (30–101 kPa), and growth tube geometry (diameter $D$ and initiator length $L$ ini ). The effect of inlet pressure and conditioner temperature on vWCPC 3789 performance was also examined and compared with laboratory experiments. The COMSOL simulation result showed that increasing the temperature difference (Δ$T$) between conditioner temperature $T$ con and initiator $T$ ini will reduce $D$ p,kel,0 and the cut-off size $D$ p,kel,50 of the vWCPC. In addition, lowering the temperature midpoint ($T$ mid = $\frac{T_{con}+T_{ini}}{2}$ increases the supersaturation and slightly decreases the $D$ p,kel . The droplet size at the end of the growth tube is not significantly dependent on raising or lowering the temperature midpoint but significantly decreases at reduced inlet pressure, which indirectly alters the vWCPC empirical cut-off size. Our study shows that the current simulated growth tube geometry ($D$=6.3 mm and $L$ ini =30 mm) is an optimized choice for current vWCPC flow and temperature settings. The current simulation can more realistically represent the $D$ p,kel for 7 nm vWCPC and also achieved good agreement with the 2 nm setting. Using the new simulation approach, we provide an optimized operation setting for the 7 nm setting. This study will guide further vWCPC performance optimization for applications requiring precise particle detection and atmospheric aerosol monitoring.

47 OTHER INSTRUMENTATION↗

Sensitivity analysis of design parameters in RowWise borehole layout for ground heat exchangers

Ground source heat pump systems offer a promising pathway toward energy-efficient building heating and cooling. The performance and cost-effectiveness of these systems heavily depend on the design of the ground heat exchanger (GHE), particularly the spatial placement of boreholes used in large commercial buildings. Among various borefield layout strategies, the RowWise approach generates and optimizes borehole configurations within irregular polygonal land boundaries, providing land-use efficiency and installation flexibility. While multiple geometric design parameters constrain the RowWise layout, their influence on the system thermal performance and total drilling requirements remains unclear. Thus, this study presents a sensitivity analysis of key design parameters influencing the RowWise layout of vertical borehole GHEs, including the perimeter spacing ratio, borehole spacing, borehole field rotation angle, and borehole length. GHEDesigner and Ray Tune are employed to generate and assess different RowWise configurations. A series of parametric simulations was conducted to quantify the impact of each parameter on geometric distribution, economic cost, and computational speed. The results provide critical insights into the sensitivity and relative importance of different design parameters of RowWise method, offering practical guidance for designers aiming to optimize GHE layouts by balancing thermal efficiency, land constraints, and economic feasibility.

Xu, Dikai [Purdue University]↗