A spatially explicit evolutionary algorithm for the spatial partitioning problem
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Liu, Yan Y. (ORCID:0000000322984728)↗
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Analytic expressions for atomic layer deposition: Coverage, throughput, and materials utilization in cross-flow, particle coating, and spatial atomic layer deposition
In this work, the authors present analytic models for atomic layer deposition (ALD) in three common experimental configurations: cross-flow, particle coating, and spatial ALD. These models, based on the plug-flow and well-mixed approximations, allow us to determine the minimum dose times and materials utilization for all three configurations. A comparison between the three models shows that throughput and precursor utilization can each be expressed by universal equations, in which the particularity of the experimental system is contained in a single parameter related to the residence time of the precursor in the reactor. For the case of cross-flow reactors, the authors show how simple analytic expressions for the reactor saturation profiles agree well with experimental results. Consequently, the analytic model can be used to extract information about the ALD surface chemistry (e.g., the reaction probability) by comparing the analytic and experimental saturation profiles, providing a useful tool for characterizing new and existing ALD processes.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Evaluating the Value of High Spatial Resolution in National Capacity Expansion Models using ReEDS
Power sector capacity expansion models (CEMs) have a broad range of spatial resolutions. This paper uses the Regional Energy Deployment System (ReEDS) model, a long-term national scale electric sector CEM, to evaluate the value of high spatial resolution for CEMs. ReEDS models the United States with 134 load balancing areas (BAs) and captures the variability in existing generation parameters, future technology costs, performance, and resource availability using very high spatial resolution data, especially for wind and solar modeled at 356 resource regions. In this paper we perform planning studies at three different spatial resolutions--native resolution (134 BAs), state-level, and NERC region level--and evaluate how results change under different levels of spatial aggregation in terms of renewable capacity deployment and location, associated transmission builds, and system costs. The results are used to ascertain the value of high geographically resolved models in terms of their impact on relative competitiveness among renewable energy resources.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Multimodal MSI in Conjunction with Broad Coverage Spatially Resolved MS2 Increases Confidence in Both Molecular Identification and Localization
One critical aspect of mass spectrometry imaging (MSI) is the need to con?dently identify detected analytes. While orthogonal tandem MS (e.g., LC-MS2) experiments from sample extracts can assist in annotating ions, the spatial information about these molecules is lost. Accordingly, this could cause mislead conclusions, especially in cases where isobaric species exhibit di?erent distributions within a sample. In this Technical Note, we employed a multimodal imaging approach, using matrix assisted laser desorption/ionization (MALDI)-MSI and liquid extraction surface analysis (LESA)-MS2I, to con?dently annotate and One critical aspect of mass spectrometry imaging (MSI) is the need to con?dently identify detected analytes. While orthogonal tandem MS (e.g., LC-MS2) experiments from sample extracts can assist in annotating ions, the spatial information about these molecules is lost. Accordingly, this could cause mislead conclusions, especially in cases where isobaric species exhibit di?erent distributions within a sample. In this Technical Note, we employed a multimodal imaging approach, using matrix assisted laser desorption/ionization (MALDI)-MSI and liquid extraction surface analysis (LESA)-MS2I, to con?dently annotate and localize a broad range of metabolites involved in a tripartite symbiosis system of moss, cyanobacteria, and fungus. We found that the combination of these two imaging modalities generated very congruent ion images, providing the link between highly accurate structural information onfered by LESA and high spatial resolution attainable by MALDI. These results demonstrate how this combined methodology could be very useful in di?erentiating metabolite routes in complex systems.
Velickovic, Dusan↗
Communication: slow relaxation, spatial mobility gradients, and vitrification in confined films
Two decades of experimental research indicate that spatial confinement of glass-forming molecular and polymeric liquids results in major changes of their slow dynamics beginning at large confinement distances. A fundamental understanding remains elusive given the generic complexity of activated relaxation in supercooled liquids and the major complications of geometric confinement, interfacial effects, and spatial inhomogeneity. For this research, we construct a predictive, quantitative, force-level theory of relaxation in free-standing films for the central question of the nature of the spatial mobility gradient. The key new idea is that vapor interfaces speed up barrier hopping in two distinct, but coupled, ways by reducing near surface local caging constraints and spatially long range collective elastic distortion. Effective vitrification temperatures, dynamic length scales, and mobile layer thicknesses naturally follow. In conclusion, our results provide a unified basis for central observations of dynamic and pseudo-thermodynamic measurements.
36 MATERIALS SCIENCE↗
Impacts of Spatial Resolution in a High-Fidelity Capacity Expansion Model: An ERCOT Case Study
Capacity expansion models are important tools in examining the evolution of the electric power sector. Embedded in these tools are many modeling choices with consequential impacts on computational burden and associated analysis. In this study, we adjust the spatial resolution of the Regional Energy Deployment System (ReEDS) to understand the implications of higher-fidelity modeling on energy system projections and model solve times. The native ReEDS regions capture the contiguous United States in 134 balancing areas whereas the regions in the higher-resolution version are defined by over 3,000 U.S. counties. Using both resolutions, we conduct a case study of the Texas Interconnection (The Electric Reliability Council of Texas [ERCOT]) to explore differences in model projections and to inform appropriate applications of high spatial resolution in a large-scale, applied capacity expansion model.
county↗
Spatially adaptive stochastic methods for fluid–structure interactions subject to thermal fluctuations in domains with complex geometries
We develop stochastic mixed finite element methods for spatially adaptive simulations of fluid–structure interactions when subject to thermal fluctuations. To account for thermal fluctuations, we introduce a discrete fluctuation–dissipation balance condition to develop compatible stochastic driving fields for our discretization. We perform analysis that shows our condition is sufficient to ensure results consistent with statistical mechanics. We show the Gibbs–Boltzmann distribution is invariant under the stochastic dynamics of the semi-discretization. To generate efficiently the required stochastic driving fields, we develop a Gibbs sampler based on iterative methods and multigrid to generate fields with O(N) computational complexity. Our stochastic methods provide an alternative to uniform discretizations on periodic domains that rely on Fast Fourier Transforms. To demonstrate in practice our stochastic computational methods, we investigate within channel geometries having internal obstacles and no-slip walls how the mobility/diffusivity of particles depends on location. Our methods extend the applicability of fluctuating hydrodynamic approaches by allowing for spatially adaptive resolution of the mechanics and for domains that have complex geometries relevant in many applications.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Towards a microchannel-based X-ray detector with two-dimensional spatial and time resolution and high dynamic range
X-ray detectors that combine two-dimensional spatial resolution with a high time resolution are needed in numerous applications of synchrotron radiation. Most detectors with this combination of capabilities are based on semiconductor technology and are therefore limited in size. Furthermore, the time resolution is often realised through rapid time-gating of the acquisition, followed by a slower readout. Here, a detector technology is realised based on relatively inexpensive microchannel plates that uses GHz waveform sampling for a millimeter-scale spatial resolution and better than 100 ps time resolution. The technology is capable of continuous streaming of time- and location-tagged events at rates greater than 10(7) events per cm(2). Time-gating can be used for improved dynamic range.
Adams, Bernhard W.↗
Developing a bright 17 keV x-ray source for probing high-energy-density states of matter at high spatial resolution
A set of experiments were performed on the National Ignition Facility (NIF) to develop and optimize a bright, 17 keV x-ray backlighter probe using laser-irradiated Nb foils. High-resolution one-dimensional imaging was achieved using a 15 μm wide slit in a Ta substrate to aperture the Nb He{sub α} x-rays onto an open-aperture, time integrated camera. To optimize the x-ray source for imaging applications, the effect of laser pulse shape and spatial profile on the target was investigated. Two laser pulse shapes were used—a “prepulse” shape that included a 3 ns, low-intensity laser foot preceding the high-energy 2 ns square main laser drive, and a pulse without the laser foot. The laser spatial profile was varied by the use of continuous phase plates (CPPs) on a pair of shots compared to beams at best focus, without CPPs. A comprehensive set of common diagnostics allowed for a direct comparison of imaging resolution, total x-ray conversion efficiency, and x-ray spectrum between shots. The use of CPPs was seen to reduce the high-energy tail of the x-ray spectrum, whereas the laser pulse shape had little effect on the high-energy tail. The measured imaging resolution was comparably high for all combinations of laser parameters, but a higher x-ray flux was achieved without phase plates. This increased flux was the result of smaller laser spot sizes, which allowed us to arrange the laser focal spots from multiple beams and produce an x-ray source which was more localized behind the slit aperture. Our experiments are a first demonstration of point-projection geometry imaging at NIF at the energies (>10 keV) necessary for imaging denser, higher-Z targets than have previously been investigated.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Linear chirped slope profile for spatial calibration in slope measuring deflectometry
Slope measuring deflectometry is commonly used by the X-ray optics community to measure the long-spatial-wavelength surface figure error of optical components dedicated to guide and focus X-rays under grazing incidence condition at synchrotron and free electron laser beamlines. The best performing instruments of this kind are capable of absolute accuracy on the level of 30-50 nrad. However, the exact bandwidth of the measurements, determined at the higher spatial frequencies by the instrument’s spatial resolution, or more generally by the instrument’s modulation transfer function (MTF) is hard to determine. An MTF calibration method based on application of a test surface with a one-dimensional (1D) chirped height profile of constant amplitude was suggested in the past. In this work, we propose a new approach to designing the test surfaces with a 2D-chirped topography, specially optimized for MTF characterization of slope measuring instruments. The design of the developed MTF test samples based on the proposed linear chirped slope profiles (LCSPs) is free of the major drawback of the 1D chirped height profiles, where in the slope domain, the amplitude strongly increases with the local spatial frequency of the profile. We provide the details of fabrication of the LCSP samples. The results of first application of the developed test samples to measure the spatial resolution of the BESSY-NOM at different experimental arrangements are also presented and discussed.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Spatial resolution of a spherical x-ray crystal spectrometer at various magnifications
A high spatial resolution of a few μm is often required for probing small-scale high-energy-density plasmas using high resolution x-ray imaging spectroscopy. This resolution can be achieved by adjusting system magnification to overcome the inherent limitation of the detector pixel size. Laboratory experiments on investigating the relation between spatial resolution and system magnification for a spherical crystal spectrometer are presented. Tungsten Lβ{sub 2} rays from a tungsten-target micro-focus x-ray tube were diffracted by a Ge 440 crystal, which was spherically bent to a radius of 223 mm, and imaged onto an x-ray CCD with 13-μm pixel size. The source-to-crystal (p) and crystal-to-detector (q) distances were varied to produce spatial magnifications (M = q/p) ranging from 2 to 10. The inferred instrumental spatial width reduces with increasing system magnification M. However, the experimental measurement at each M is larger than the theoretical value of pixel size divided by M. Future work will focus on investigating possible broadening mechanisms that limit the spatial resolution.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Spatial-Spectral Representation for X-Ray Fluorescence Image Super-Resolution
X-ray fluorescence (XRF) scanning of works of art is becoming an increasing popular nondestructive analyticalmethod. The high quality XRF spectra is necessary to obtain significant information on both major and minor elements used for characterization and provenance analysis. However, there is a tradeoff between the spatial resolution of an XRF scan and the signalto- noise ratio (SNR) of each pixel’s spectrum, due to the limited scanning time. In this project, we propose an XRF image super-resolution method to address this tradeoff; thus, obtaining a high spatial resolution XRF scan with high SNR. We fuse a lowresolution XRF image and a conventional RGB high-resolution image into a product of both high spatial and high spectral resolution XRF image. There is no guarantee of a one to one mapping between XRF spectrum and RGB color since, for instance, paintings with hidden layers cannot be detected in visible but can in X-ray wavelengths. We separate the XRF image into the visible and nonvisible components. The spatial resolution of the visible component is increased utilizing the high-resolution RGB image, whereas the spatial resolution of the non-visible component is increased using a total variation super-resolution method. Finally, the visible and nonvisible components are combined to obtain the final result.
Dai, Qiqin↗
Delineating Facies Spatial Distribution by Integrating Ensemble Data Assimilation and Indicator Geostatistics with Level-Set Transformation
The facies-based approach has been widely adopted to delineate an aquifer into distinct geological units with unique distributions of hydraulic, physical, and/or chemical properties. The recent development in ensemble-based data assimilation methods allows both the direct and indirect data to be used to improve facies delineation. A major difficulty in those applications is to honor the spatial continuity and avoid overfitting after data assimilation. We introduce a new facies delineation framework to integrate ensemble data assimilation with traditional transition probability-based geostatistics. A level-set concept is used to parametrize discrete facies indicators and for updating facies shape. During the iterative data assimilation process, we impose spatial continuity by conditioning facies field generation on points selected adaptively based on their sensitivity to observation data. This reconditioning step is a key step to maintain spatial continuity and overcome over-fitting problems in inversion. We selected two examples to evaluate the performance of the new framework in estimating facies-based permeability field. The first example is a two-dimensional synthetic system with transient head data induced by pumping tests used for delineating two facies. The second example is a three-dimensional case with three facies, conceptualized from a field tracer experiment within the Columbia River corridor in Washington State, USA. Both examples demonstrate that the new method can adequately capture the spatial pattern of hydrofacies with reconditioning, which leads to the improved prediction of system behaviors.
Song, Xuehang↗
Mapping and simulating systematics due to spatially-varying observing conditions in DES science verification data
Spatially-varying depth and characteristics of observing conditions, such as seeing, airmass, or sky background, are major sources of systematic uncertainties in modern galaxy survey analyses, in particular in deep multi-epoch surveys. We present a framework to extract and project these sources of systematics onto the sky, and apply it to the Dark Energy Survey (DES) to map the observing conditions of the Science Verification (SV) data. The resulting distributions and maps of sources of systematics are used in several analyses of DES SV to perform detailed null tests with the data, and also to incorporate systematics in survey simulations. We illustrate the complementarity of these two approaches by comparing the SV data with the BCC-UFig, a synthetic sky catalogue generated by forward-modelling of the DES SV images. We then analyse the BCC-UFig simulation to construct galaxy samples mimicking those used in SV galaxy clustering studies. We show that the spatially-varying survey depth imprinted in the observed galaxy densities and the redshift distributions of the SV data are successfully reproduced by the simulation and well-captured by the maps of observing conditions. The combined use of the maps, the SV data and the BCC-UFig simulation allows us to quantify the impact of spatial systematics on N(z), the redshift distributions inferred using photometric redshifts. We conclude that spatial systematics in the SV data are mainly due to seeing fluctuations and are under control in current clustering and weak lensing analyses. However, they will need to be carefully characterised in upcoming phases of DES in order to avoid biasing the inferred cosmological results. The framework presented is relevant to all multi-epoch surveys, and will be essential for exploiting future surveys such as the Large Synoptic Survey Telescope, which will require detailed null-tests and realistic end-to-end image simulations to correctly interpret the deep, high-cadence observations of the sky.
79 ASTRONOMY AND ASTROPHYSICS↗
Untargeted Spatial Metabolomics and Spatial Proteomics on the Same Tissue Section
An increasing number of spatial multiomic workflows have been recently developed. Some of these approaches have leveraged initial mass spectrometry imaging (MSI)-based spatial metabolomics to inform region of interest (ROI) selection for downstream spatial proteomics. However, these workflows have been limited by varied substrate requirements between modalities or have required analyzing serial sections (i.e., one section per modality). To mitigate these issues, we present a novel multiomic workflow that uses desorption electrospray ionization (DESI)-MSI to identify representative spatial metabolite patterns on-tissue prior to spatial proteomic analyses on the same tissue section. Further, this workflow is demonstrated here with a model mammalian tissue (coronal rat brain section) mounted on a polyethylene naphthalate-membrane slide. Initial DESI-MSI resulted in 160 annotations (SwissLipids) within to the METASPACE platform (≤20% false discovery rate). A segmentation map from the annotated ion images informed downstream ROI selection for spatial proteomics characterization from the same sample. The unspecific substrate requirements and minimal sample disruption inherent to DESI-MSI allowed for an optimized, downstream spatial proteomics assay, resulting in 3888 ± 240 to 4717 ± 48 proteins being confidently directed per ROI (200 µm x 200 µm). Finally, we demonstrate the integration of multiomic information, where we found ceramide localization to be correlated with SMPD3 abundance (ceramide synthesis protein), and we also utilized protein abundance to resolve metabolite isomeric ambiguity. Overall, the integration of DESI-MSI into the multiomic workflow allows for complementary spatial and molecular-level information to be achieved from optimized implementations of each MS assay inherent to the workflow itself.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The spatial footprint of injection wells in a global compilation of induced earthquake sequences
Fluid injection can cause extensive earthquake activity, sometimes at unexpectedly large distances. Appropriately mitigating associated seismic hazards requires a better understanding of the zone of influence of injection. We analyze spatial seismicity decay in a global dataset of 18 induced cases with clear association between isolated wells and earthquakes. We distinguish two populations. The first is characterized by near-well seismicity density plateaus and abrupt decay, dominated by square-root space-time migration and pressure diffusion. Injection at these sites occurs within the crystalline basement. The second population exhibits larger spatial footprints and magnitudes, as well as a power law–like, steady spatial decay over more than 10 kilometers, potentially caused by poroelastic effects. Far-reaching spatial effects during injection may increase event magnitudes and seismic hazard beyond expectations based on purely pressure-driven seismicity.
Science & Technology - Other Topics↗