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DOE OSTI2019

Through Concentration Profiling of Heterojunction Solar Cells

Electrochemical capacitance–voltage profiling has been used to examine heterojunction solar cells based on single-crystal silicon. Specific features of the electrochemical capacitance–voltage profiling of modern multilayer heterojunction solar cells have been analyzed. The distribution profiles of majority carriers across the whole thickness of the samples were obtained, including, for the first time, those in layers of conducting indium tin oxide.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Cycling-Induced Changes in the Entropy Profiles of Lithium Cobalt Oxide Electrodes

Entropy profiles of lithium cobalt oxide (LiCoO2) electrodes were measured at various stages in the cycle life to examine performance degradation and cycling-induced changes, or lack thereof, in thermodynamics. LiCoO 2 electrodes were cycled at C/2 rate in half-cells (vs. lithium anodes) up to 20 cycles or C/5 rate in full cells (vs. MCMB anodes) up to 500 cycles. The electrodes were then subjected to entropy measurements (∂E/∂T, where E is open-circuit potential and T is temperature) in half-cells at regular intervals over the approximate range 0.5 ≤ x ≤ 1 in LixCoO 2 . Despite significant losses in capacity upon cycling, neither cycling rate resulted in any change to the overall shape of the entropy profile relative to an uncycled electrode, indicating retention of the basic LiCoO 2 structure, lithium insertion mechanism, and thermodynamics. This confirms that cycling-induced performance degradation in LiCoO 2 electrodes is primarily caused by kinetic barriers that increase with cycling. In the case of electrodes cycled at C/5, there was a subtle, quantitative, and gradual change in the entropy profile in the narrow potential range of the hexagonal-to-monoclinic phase transition. The observed change is indicative of a decrease in the intralayer lithium ordering that occurs at these potentials, and it demonstrates that a cyclinginduced structural disorder accompanies the kinetic degradation mechanisms.

25 ENERGY STORAGE↗

DOE OSTI2025

Atmospheric Profile Builder

APBuilder is a software tool designed to generate atmospheric profiles for use with AC2Dr by downloading weather model data and transforming it into 1D or 2D binary profiles. These binary profiles serve as required inputs for AC2Dr, an LLNL-developed, open source, two-dimensional numerical solver for the acoustic wave equation based on the finite difference method.

Kim, Keehoon [Lawrence Livermore National Laborato↗

DOE OSTI2022

Effect of the pump beam profile and wavefront on the amplified signal wavefront in optical parametric amplifiers

We present a theoretical and experimental analysis of the signal phase introduced by the pump-beam wavefront and spatial profile during optical parametric amplification (OPA) process. The theory predicts the appearance of an additional wavefront in the amplified signal beam that is proportional to the spatial derivative of the pump-beam wavefront. The effect of the pump-beam profile on the signal-beam wavefront is also investigated. Our experiments tested these theoretical predictions by comparing the wavefront of the signal beam before and after amplification in a multi-joule broadband OPA. The measured signal wavefront was shown to have the expected dependence on the pump-beam profile and wavefront. These results can be considered when designing petawatt-scale ultrabroadband optical parametric chirped-pulse–amplification systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Multivariate regression modelling for gender prediction using volatile organic compounds from hand odor profiles via HS-SPME-GC-MS

The efficacy of using human volatile organic compounds (VOCs) as a form of forensic evidence has been well demonstrated with canines for crime scene response, suspect identification, and location checking. Although the use of human scent evidence in the field is well established, the laboratory evaluation of human VOC profiles has been limited. This study used Headspace-Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS) to analyze human hand odor samples collected from 60 individuals (30 Females and 30 Males). The human volatiles collected from the palm surfaces of each subject were interpreted for classification and prediction of gender. The volatile organic compound (VOC) signatures from subjects’ hand odor profiles were evaluated with supervised dimensional reduction techniques: Partial Least Squares-Discriminant Analysis (PLS-DA), Orthogonal-Projections to Latent Structures Discriminant Analysis (OPLS-DA), and Linear Discriminant Analysis (LDA). The PLS-DA 2D model demonstrated clustering amongst male and female subjects. The addition of a third component to the PLS-DA model revealed clustering and minimal separation of male and female subjects in the 3D PLS-DA model. The OPLS-DA model displayed discrimination and clustering amongst gender groups with leave one out cross validation (LOOCV) and 95% confidence regions surrounding clustered groups without overlap. The LDA had a 96.67% accuracy rate for female and male subjects. The culminating knowledge establishes a working model for the prediction of donor class characteristics using human scent hand odor profiles.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Correlating transcription and protein expression profiles of immune biomarkers following lipopolysaccharide exposure in lung epithelial cells

Universal and early recognition of pathogens occurs through recognition of evolutionarily conserved pathogen associated molecular patterns (PAMPs) by innate immune receptors and the consequent secretion of cytokines and chemokines. The intrinsic complexity of innate immune signaling and associated signal transduction challenges our ability to obtain physiologically relevant, reproducible and accurate data from experimental systems. One of the reasons for the discrepancy in observed data is the choice of measurement strategy. Immune signaling is regulated by the interplay between pathogen-derived molecules with host cells resulting in cellular expression changes. However, these cellular processes are often studied by the independent assessment of either the transcriptome or the proteome. Correlation between transcription and protein analysis is lacking in a variety of studies. In order to methodically evaluate the correlation between transcription and protein expression profiles associated with innate immune signaling, we measured cytokine and chemokine levels following exposure of human cells to the PAMP lipopolysaccharide (LPS) from the Gram-negative pathogen Pseudomonas aeruginosa . Expression of 84 messenger RNA (mRNA) transcripts and 69 proteins, including 35 overlapping targets, were measured in human lung epithelial cells. We evaluated 50 biological replicates to determine reproducibility of outcomes. Following pairwise normalization, 16 mRNA transcripts and 6 proteins were significantly upregulated following LPS exposure, while only five (CCL2, CSF3, CXCL5, CXCL8/IL8, and IL6) were upregulated in both transcriptomic and proteomic analysis. This lack of correlation between transcription and protein expression data may contribute to the discrepancy in the immune profiles reported in various studies. The use of multiomic assessments to achieve a systems-level understanding of immune signaling processes can result in the identification of host biomarker profiles for a variety of infectious diseases and facilitate countermeasure design and development.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Kinetic and temperature sensitivity properties of soil exoenzymes through the soil profile down to one-meter depth at a temperate coniferous forest (Blodgett, CA)

This dataset contains data on kinetic and temperature sensitivity parameters of the exoenzymes β-glucosidase (BG), leucine/leucyl aminopeptidase (LAP) and acid phosphatase (AP) across a soil profile down to 90 cm depth at Blodgett forest, CA, USA. These data were generated to determine if kinetic and thermal properties of microbial exoenzymes involved in organic matter decomposition varied with soil depth, following variation in soil properties and microbial communities, as part of the study: Alves et al. (2021). Kinetic Properties of Microbial Exoenzymes Vary with Soil Depth but Have Similar Temperature Sensitivities Through the Soil Profile. Frontiers in Microbiology 12:3618. https://doi.org/10.3389/fmicb.2021.735282. This research was performed within the framework of the TES Belowground Biogeochemistry SFA project, in particular association with a long-term field warming experiment of the whole soil profile at Blodgett forest. Samples for this work were collected from locations representative of the field experimental plots. Potential enzyme activity rates were measured using laboratory fluorometric assays with soils collected at 0-10, 10-20, 30-40, 50-60, 60-70 and 80-90 cm deep in biological triplicates (i.e., three soil cores collected at different representative locations). Assays with each soil were conducted over a gradient of eight substrate concentrations per enzyme, and incubated at 4, 10, 16, 25, 35 or 50°C. Enzyme Michaelis-Menten kinetics were modeled over the eight substrate concentrations at each temperature, and the temperature sensitivity of the kinetic parameters was modeled over the six temperatures using linear Arrhenius/Q10 and non-linear Macromolecular Rate Theory (MMRT) models. The dataset includes the fully processed enzyme activity rate data used to model Michaelis-Menten kinetics, calculated kinetic and temperature sensitivity parameters, and basic soil and microbial biomass chemistry for each sample. All data is provided for each individual biological replicate, and kinetic and temperature sensitivity parameters are also provided as means of the biological replicates. The dataset also includes all raw measurement data and code used to parse, combine and perform the analyses described by Alves et al. (2021). For file descriptions, see the file-level metadata files: “enzymes_dataProcessed_flmd.xlsx” (processed data); “enzymes_dataRaw_flmd.xlsx” (compressed raw data and metadata); and “enzymes_code_flmd.xlsx” (compressed code). The experimental design, list of parameters measured, soil and microbial biomass chemistry data, and means of biological replicates for kinetic and temperature sensitivity parameters are also provided as human-readable tables in file “enzymeTraits_design_results_tables.xlsx”.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Progress on an Electron Beam Profile Monitor at the Fermilab Main Injector

The current program at Fermilab involves the construction of a new superconducting linear accelerator (LINAC) to replace the existing warm version. The new LINAC, together with other planned improvements, is in support of proton beam intensities in the Main Injector (MI) that will exceed 2 MW. Measuring the transverse profiles of these high intensity beams in a ring requires non-invasive techniques. The MI uses ionization profile monitors as its only profile system. An alternative technique involves measuring the deflection of a probe beam of electrons with a trajectory perpendicular to the proton beam. This type of device was installed in MI and initial studies of it have been previously presented. This paper will present the status and recent studies of the device utilizing different techniques.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Space-Charge Effects in Ionization Beam Profile Monitors

Ionization profile monitors (IPMs) are widely used in accelerators for non-destructive and fast diagnostics of high energy particle beams. At high beam intensities, the space-charge forces make the measured IPM profiles significantly different from those of the beams. We analyze dynamics of the secondaries in IPMs and develop an effective algorithm to reconstruct the beam sizes from the measured IPM profiles. Efficiency of the developed theory is illustrated in application to the Fermilab 8 GeV proton Booster IPMs.

Shiltsev, Vladimir D.↗

DOE OSTI2022

rabpro: global watershed boundaries, river elevation profiles, and catchment statistics

River and Basin Profiler (rabpro) is a Python package to delineate watersheds, extract river flowlines and elevation profiles, and compute watershed statistics for any location on the Earth’s surface. As fundamental hydrologically-relevant units of surface area, watersheds are areas of land that drain via aboveground pathways to the same location, or outlet. Delineations of watershed boundaries are typically performed on digital elevation models (DEMs) that represent surface elevations as gridded rasters. Depending on the resolution of the DEM and the size of the watershed, delineation may be very computationally expensive. With this in mind, we designed rabpro to provide user-friendly workflows to manage the complexity and computational expense of watershed calculations given an arbitrary coordinate pair. In addition to basic watershed delineation, rabpro will extract the elevation profile for a watershed’s mainchannel flowline. This enables the computation of river slope, which is a critical parameter in many hydrologic and geomorphologic models. Finally, rabpro provides a user-friendly wrapper around Google Earth Engine’s (GEE) Python API to enable cloud-computing of zonal watershed statistics and/or time-varying forcing data from hundreds of available datasets. Altogether, rabpro provides the ability to automate or semi-automate complex watershed analysis workflows across broad spatial extents.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

915-MHz Wind Profiler for Cloud Forecasting at Brookhaven National Laboratory

When considering the amount of shortwave radiation incident on a photovoltaic solar array and, therefore, the amount and stability of the energy output from the system, clouds represent the greatest source of short-term (i.e., scale of minutes to hours) variability through scattering and reflection of incoming solar radiation. Providing estimates of this short-term variability is important for determining and regulating the output from large solar arrays as they connect with the larger power infrastructure. In support of the installation of a 37-MW solar array on the grounds of Brookhaven National Laboratory (BNL), a study of the impacts of clouds on the output of the solar array has been undertaken. The study emphasis is on predicting the change in surface solar radiation resulting from the observed/forecast cloud field on a 5-minute time scale. At these time scales, advection of cloud elements over the solar array is of particular importance. As part of the BNL Aerosol Life Cycle Intensive Operational Period (IOP), a 915-MHz Radar Wind Profiler (RWP) was deployed to determine the profile of low-level horizontal winds and the depth of the planetary boundary layer. The initial deployment mission of the 915-MHz RWP for cloud forecasting has been expanded the deployment to provide horizontal wind measurements for estimating and constraining cloud advection speeds. A secondary focus is on the observation of dynamics and microphysics of precipitation during cold season/winter storms on Long Island. In total, the profiler was deployed at BNL for 1 year from May 2011 through May 2012.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

915-Mhz Wind Profiler for Cloud Forecasting at Brookhaven National Laboratory

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Demand Response Availability Profiles for California in the Year 2020

Demand response (DR) is being considered as a valuable resource for keeping the electrical grid stable and efficient, and deferring upgrades to generation, transmission, and distribution systems. However, simulations to determine how much infrastructure upgrades can be deferred are necessary in order to plan optimally. Production cost modeling is a technique, which simulates the dispatch of generators to meet demand and reserves in each hour of the year, at minimal cost. By integrating demand response resources into a production cost model (PCM), their value to the grid can be estimated and used to inform operations and infrastructure planning. DR availability profiles and constraints for 13 end-uses in California for the year 2020 were developed by Lawrence Berkeley National Laboratory (LBNL), and integrated into a production cost model by Lawrence Livermore National Laboratory (LLNL), for the California Energy Commission’s Value of Energy Storage and Demand Response for Renewable Integration in California Study. This report summarizes the process for developing the DR availability profiles for California, and their aggregate capabilities. While LBNL provided potential DR hourly profiles for regulation product in the ancillary services market and five-minute load following product in the energy market for LLNL’s study, additional results in contingency reserves and an assumed flexible product are also defined. These additional products are included in the analysis for managing high ramps associated with renewable generation and capacity products and they are also presented in this report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Numerical and Experimental Investigation of Turbulent Transport Control via Shaping of Radial Plasma Flow Profiles

Turbulence, and turbulence-driven transport are ubiquitous in magnetically confined plasmas, where there is an intimate relationship between turbulence, transport, instability driving mechanisms (such as gradients), plasma flows, and flow shear. Though many of the detailed physics of the interrelationship between turbulence, transport, drive mechanisms, and flow remain unclear, there have been many demonstrations that transport and/or turbulence can be suppressed or reduced via manipulations of plasma flow profiles. This is well known in magnetic fusion plasmas [e.g., high confinement mode (H-mode) and internal transport barriers (ITB’s)], and has also been demonstrated in laboratory plasmas. However, it may be that the levels of particle transport obtained in such cases [e.g. H-mode, ITB’s] are actually lower than is desirable for a practical fusion device. Ideally, one would be able to actively feedback control the turbulent transport, via manipulation of the flow profiles. The purpose of this research was to investigate the feasibility of using both advanced model-based control algorithms, as well as non-model-based algorithms, to control cross-field turbulence-driven particle transport through appropriate manipulation of radial plasma flow profiles. The University of New Mexico was responsible for the experimental portion of the project, while our collaborators at the University of Montana provided plasma transport modeling, and collaborators at Lehigh University developed and explored control methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

The R&D of NSLS-II Girder Profiling

A precise state-of-the-art vibrating wire technique will be adopted to achieve the challenging ±30 μm magnet-magnet positioning requirement in NSLS-II storage ring. However, girder profile variation after relocation will merge all the efforts of precise magnet alignment. Girder profiling, a 2-steps process including baseline establishment and restoration in tunnel which never been applied before in accelerator field, will be implemented to keep the girder profile between magnetic measurement room and tunnel as close as possible. Laser tracker is chosen as the main instrument. Tests in environmentally controlled room indicate that a repeatability accuracy of ±10 μm can be achieved by laser tracker in several days period and it has the resolution of better than ±5 μm if serving as an indicator. Simulations and tests prove that an accuracy of better than ±10 μm can be achieved for both steps; therefore, the final magnet-magnet alignment accuracy can be better than ±20 μm. Most of the R&D activities will be presented.

36 MATERIALS SCIENCE↗

DOE OSTI2019

End-Use Load Profiles for the U.S. Building Stock: Market Needs, Use Cases, and Data Gaps

States and utilities are developing increasingly ambitious energy goals. Part of the solution to meeting these goals is improving electric grid flexibility. This includes shifting electric demand to align with grid needs. Thus, identifying and using building energy efficiency and other distributed energy resources to produce the highest grid value requires highly resolved, accurate and accessible electricity end-use load profiles (EULPs). EULPs quantify how and when energy is used. Currently, few accurate and accessible end-use load profiles are available for utilities, public utility commissions, state energy offices and other stakeholders to use to prioritize investment and value energy efficiency, demand response, distributed generation and energy storage. High-quality EULPs are also critical for determining the time-sensitive value of efficiency and other distributed energy resources, and the widespread adoption of grid-interactive efficient buildings (GEBs).For example, EULPs can be used to accurately forecast energy savings in buildings or identify energy activities that can be shifted to different times of the day. This report serves as the first-year deliverable for a multiyear U.S. Department of Energy-funded project, End-Use Load Profiles for the U.S. Building Stock, that intends to produce a set of highly resolved EULPs of the U.S. residential and commercial building stock. The project team, made up of researchers from the National Renewable Energy Laboratory (NREL), Lawrence Berkeley National Laboratory (LBNL), and Argonne National Laboratory, ultimately will use calibrated physics-based building energy models to create these EULPs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Generating HPC Job Profiles and Expectations with Time-Series Data - Showcase Presentation

Summary: Job Profiles and Expectations provide important insights into workloads (Job Profile: window into how a job is running; Job Expectation: Is that job behaving as expected; Provides us with actionable information). Machine learning can be used to group job runs into workload types (Identified groups can then be used for generate expectations); Profiles and Expectations also enable the study of: System-wide events, tracking system changes; System resource utilization and scheduling; Marking log data for further investigation or failures/anomalies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

A computational study of turbulent separated flow over a wall-mounted cube at two different Reynolds numbers and incoming velocity profiles

Simulations of the canonical wall-mounted unit cube subjected to two distinct incident velocity profiles is performed at Reynolds numbers (Re) where the bulk flow characteristics are known to become relatively Re-insensitive using both direct numerical simulation (DNS) and wall-resolved large eddy simulation (WRLES). The aim of this work is to highlight the sensitivity of such bluff-body flows to mean shear and to provide a representative set of data for such flow scenarios where common turbulence modeling techniques often fail. Simple boundary conditions are selected to allow for easy comparisons for model development purposes and avoid confounding effects from freestream turbulence. In addition to mean velocity profiles, select turbulence statistics are presented in detail. We find that both mean velocity profiles and mean wake turbulence are Re-insensitive over the range examined here.

42 ENGINEERING↗