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Results for “Dynamic profiling”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Excitation and recombination dynamics of vacancy-related spin centers in silicon carbide

We generate silicon vacancy related defects in high-quality epitaxial silicon carbide layers by means of electron irradiation. By controlling the irradiation fluence, the defect concentration is varied over several orders of magnitude. We establish the excitation profile for optical pumping of these defects and evaluate the optimum excitation wavelength of 770 nm. We also measure the photoluminescence dynamics at room temperature and find a monoexponential decay with a characteristic lifetime of 6.1 ns. The integrated photoluminescence intensity depends linear on the excitation power density up to 20 kW/cm{sup 2}, indicating a relatively small absorption cross section of these defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Probing Clustering Dynamics between Silicon and PAA or LiPAA Slurries under Processing Conditions

This work explores the complex interplay between slurry aggregation, agglomeration, and conformation (i.e., shape) of poly(acrylic acid) (PAA)- and lithiated PAA-based silicon slurries as a function of the shear rate and the resulting slurry homogeneity. These values were measured by small-angle neutron scattering (SANS) and rheology-coupled ultra-SANS at conditions relevant to battery electrode casting. Different binder solution preparation methods, either a ball milling (BM) process or a planetary centrifugal mixing (PCM) process, dramatically modify the resulting polymer dynamics and organization around a silicon material. This is due to the different energy profiles of mixing where the more violent and higher energy PCM causes extensive breakdown and reformation of the binder, which is now likely in a branched conformation, while the lower energy BM results in simply lower-molecular weight linear polymers. In conclusion, the breakdown and reorganization of the polymer structure affect silicon slurry homogeneity, which affects subsequent electrode architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Computational Design of Miniproteins as SARS-CoV-2 Therapeutic Inhibitors

A rational therapeutic strategy is urgently needed for combating SARS-CoV-2 infection. Viral infection initiates when the SARS-CoV-2 receptor-binding domain (RBD) binds to the ACE2 receptor, and thus, inhibiting RBD is a promising therapeutic for blocking viral entry. In this study, the structure of lead antiviral candidate binder (LCB1), which has three alpha-helices (H1, H2, and H3), is used as a template to design and simulate several miniprotein RBD inhibitors. LCB1 undergoes two modifications: structural modification by truncation of the H3 to reduce its size, followed by single and double amino acid substitutions to enhance its binding with RBD. We use molecular dynamics (MD) simulations supported by ab initio density functional theory (DFT) calculations. Complete binding profiles of all miniproteins with RBD have been determined. The MD investigations reveal that the H3 truncation results in a small inhibitor with a -1.5 kcal/mol tighter binding to RBD than original LCB1, while the best miniprotein with higher binding affinity involves D17R or E11V + D17R mutation. DFT calculations provide atomic-scale details on the role of hydrogen bonding and partial charge distribution in stabilizing the minibinder:RBD complex. This study provides insights into general principles for designing potential therapeutics for SARS-CoV-2.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Dynamic compression and spallation behavior of NbTaTiVZr high-entropy alloy

High-entropy alloys are a new class of materials with promising properties for aerospace and defense applications. The unique behavior of these materials is driven by the complex interactions between dissimilar atoms in a crystal and requires combined theoretical and experimental efforts to unlock their full potential. Here, we evaluate the relationship between the microstructure and the dynamic response of the equiatomic NbTaTiVZr alloy. Specifically, the shock Hugoniot, or equation of state, was measured up to a particle velocity of 0.5 mm μs −1 using gas gun plate impacts. Shock wave profile and incipient spallation experiments were used to characterize wave propagation and damage formation with post-mortem recovery experiments. Molecular dynamics simulations confirm the experimental findings and extend them up to 2.1 mm μs −1 particle velocity. Computational thermodynamic calculation of phase diagram simulations explain details of the material microstructure, which explains the measured strength and experimental damage patterns. Overall, this work provides detailed high-strain-rate characterization of a refractory high-entropy alloy, and more importantly, a framework and demonstration of the utility and necessity of a combined theoretical and experimental approach, outlining the importance of considering processing and manufacturing conditions when evaluating the performance of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Transplatformer: translating toxicogenomic profiles between generations of platforms

Background Transcriptomic profiling technologies have advanced the analysis of biological and toxicological responses. However, substantial differences in probe design, dynamic range, gene coverage, and preprocessing pipelines across platforms introduce artifacts that limit cross-study integration and hinder the reuse of historical datasets. We aim to develop computational methods for accurate cross-platform translation to maximize the value of legacy resources. Results We present TransPlatformer a deep learning framework for translating gene expression profiles across heterogeneous toxicogenomics platforms. TransPlatformer employs a novel attention-based architecture to map high-dimensional fold-change vectors from legacy microarray technologies to current platforms. Models are trained and evaluated using DrugMatrix, spanning three technological generations. We investigate mixed-tissue, single-tissue, and cross-tissue training paradigms and benchmark performance against multilayer perceptron and matrix-completion baselines. In mixed-tissue training, TransPlatformer achieves a greater than 50% reduction in mean absolute error (0.043 vs. 0.09) and nearly doubles Pearson correlation ( ≈ 0.71 vs. 0.37) relative to baseline methods. Importantly, TransPlatformer preserves rare but biologically meaningful over- and under-expressed signals, with mean absolute error below 0.22. Single-tissue models yield further improvements for well-represented organs, such as a 10% reduction in liver mean absolute error, while underscoring the need for data augmentation strategies in low-sample tissues.ra Conclusions TransPlatformer provides an effective and scalable computational solution for cross-platform transcriptomic translation. By enabling biologically faithful harmonization of gene expression data, the proposed approach facilitates the reuse of legacy toxicogenomics datasets, enhances downstream biomarker discovery, and supports more reproducible predictive modeling in toxicology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

DNA Reaction–Diffusion Attractor Patterns

Abstract Living systems can form and recover complex chemical patterns with precisely sized features in the ranges of tens or hundreds of microns. We show how designed reaction–diffusion processes can likewise produce precise patterns, termed attractor patterns, that reform their precise shape after being perturbed. We use oligonucleotide reaction networks, photolithography, and microfluidic delivery to form precisely controlled attractor patterns and study the responses of these patterns to different localized perturbations. Linear and “hill”‐shaped patterns formed and stabilized into shapes and at time scales consistent with reaction–diffusion models. When patterns were perturbed in particular locations with UV light, they reliably reformed their steady‐state profiles. Recovery also occurred after repeated perturbations. By designing the far‐from‐equilibrium dynamics of a chemical system, this study shows how it is possible to design spatial patterns of molecules that are sustained and regenerated by continually evolving towards a specific steady state configuration.

Dorsey, Phillip James↗
DOE OSTI2020

Calibration, measurement, and characterization of soil moisture dynamics in a central Amazonian tropical forest

Soil moisture plays a key role in hydrological, biogeochemical, and energy budgets of terrestrial ecosystems. Accurate soil moisture measurements in remote ecosystems such as the Amazon are difficult and limited because of logistical constraints. Time domain reflectometry (TDR) sensors are widely used to monitor soil moisture and require calibration to convert the TDR's dielectric permittivity measurement (K a ) to volumetric water content (θ v ). In this study, our objectives were to develop a field-based calibration of TDR sensors in an old-growth upland forest in the central Amazon, to evaluate the performance of the calibration, and then to apply the calibration to determine the dynamics of soil moisture content within a 14.2 -m-deep vertical soil profile. Depth-specific TDR calibration using local soils in a controlled laboratory setting yielded a novel K a –θ v third-degree polynomial calibration. The sensors were later installed to their specific calibration depth in a 14.2-m pit. The widely used K a –θ v relationship (Topp model) underestimated the site-specific θ v by 22–42%, indicating significant error in the model when applied to these well-structured, clay-rich tropical forest soils. The calibrated wet- and dry-season θ v data showed a variety of depth and temporal variations highlighting the importance of soil textural differentiation, root uptake depths, as well as event to seasonal precipitation effects. Data such as these are greatly needed for improving our understanding of ecohydrological processes within tropical forests and for improving models of these systems in the face of changing environmental conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Profiling Production OpenSHMEM Applications, In: OpenSHMEM 2016: OpenSHMEM and Related Technologies. Enhancing OpenSHMEM for Hybrid Environments

Developing high performance OpenSHMEM applications routinely involves gaining a deeper understanding of software execution, yet there are numerous hurdles to gathering performance metrics in a production environment. Most OpenSHMEM performance profilers rely on the PSHMEM interface but PSHMEM is an optional and often unavailable feature. We present a tool that generates direct measurement performance profiles of OpenSHMEM applications even when PSHMEM is unavailable. The tool operates on dynamically linked and statically linked application binaries, does not require debugging symbols, and functions regardless of compiler optimization level. Integrated in the TAU Performance System, the tool uses automatically-generated wrapper libraries that intercept OpenSHMEM API calls to gather performance metrics with minimal overhead. Dynamically linked applications may use the tool without modifying the application binary in any way.

Computer Science↗
DOE OSTI2015

Giant optical enhancement of strain gradient in ferroelectric BiFeO 3 thin films and its physical origin

Through mapping of the spatiotemporal strain profile in ferroelectric BiFeO 3 epitaxial thin films, we report an optically initiated dynamic enhancement of the strain gradient of 10 5 –10 6 m -1 that lasts up to a few ns depending on the film thickness. Correlating with transient optical absorption measurements, the enhancement of the strain gradient is attributed to a piezoelectric effect driven by a transient screening field mediated by excitons. In conclusion, these findings not only demonstrate a new possible way of controlling the flexoelectric effect, but also reveal the important role of exciton dynamics in photostriction and photovoltaic effects in ferroelectrics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

A multi-crystal wavelength dispersive x-ray spectrometer

A multi-crystal wavelength dispersive hard x-ray spectrometer with high-energy resolution and large solid angle collection is described. The instrument is specifically designed for time-resolved applications of x-ray emission spectroscopy (XES) and x-ray Raman scattering (XRS) at X-ray Free Electron Lasers (XFEL) and synchrotron radiation facilities. It also simplifies resonant inelastic x-ray scattering (RIXS) studies of the whole 2d RIXS plane. The spectrometer is based on the Von Hamos geometry. This dispersive setup enables an XES or XRS spectrum to be measured in a single-shot mode, overcoming the scanning needs of the Rowland circle spectrometers. In conjunction with the XFEL temporal profile and high-flux, it is a powerful tool for studying the dynamics of time-dependent systems. Photo-induced processes and fast catalytic reaction kinetics, ranging from femtoseconds to milliseconds, will be resolvable in a wide array of systems circumventing radiation damage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Development of a high dynamic range spectroscopic system for observation of neutral hydrogen atom density distribution in Large Helical Device core plasma

We report development of a high dynamic range spectroscopic system comprising a spectrometer with 30% throughput and a camera with a low-noise fast-readout complementary metal-oxide semiconductor sensor. The system achieves a 10{sup 6} dynamic range (∼20 bit resolution) and an instrumental function approximated by a Voigt profile with Gauss and Lorentz widths of 31 and 0.31 pm, respectively, for 656 nm light. The application of the system for line profile observations of the Balmer-α emissions from high temperature plasmas generated in the Large Helical Device is also presented. In the observed line profiles, emissions are detected in far wings more than 1.0 nm away from the line center, equivalent to neutral hydrogen atom kinetic energies above 1 keV. We evaluate atom density distributions in the core plasma by analyzing the line profiles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Simultaneous measurements of several state variables in shocked carbon by imaging x-ray scattering

We apply the novel experimental technique of imaging x-ray Thomson scattering to measure the spatial profiles of the temperature, ionization state, relative material density, and the shock speed in a high-energy density system. A blast wave driven in a low-density foam is probed with 90∘ scattering of 7.8 keV helium-like nickel x-rays, which are spectrally dispersed and resolved in one spatial dimension by a doubly curved crystal. The inferred properties of the shock are shown to be self-consistent with 1D analytical estimates. These high-resolution measurements enable a direct comparison of the observed temperature with the results from hydrodynamic simulations. We find good agreement with the simulations for the temperature at the shock front but discrepancies in the modeling of the spatial temperature profile and shock speed. These results indicate the challenges in modeling the shock dynamics of structured materials like foams, commonly used in many high-energy density and laboratory astrophysics experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Temporal feedback control of high-intensity laser pulses to optimize ultrafast heating of atomic clusters

We describe how active feedback routines can be applied at a limited repetition rate (5 Hz) to optimize high-power (>10 TW) laser interactions with clustered gases. Optimization of x-ray production from an argon cluster jet, using a genetic algorithm, approximately doubled the measured energy through temporal modification of the 150 mJ driving laser pulse. This method achieved an increased radiation yield through exploration of a multi-dimensional parameter space, without requiring detailed a priori knowledge of the complex cluster dynamics. The optimized laser pulses exhibited a slow rising edge to the intensity profile, which enhanced the laser energy coupling into the cluster medium, compared to the optimally compressed FWHM pulse (40 fs). This report suggests that this technique can be more widely utilized for control of intense pulsed secondary radiation from petawatt-class laser systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

A unified solution to the small scale problems of the ΛCDM model

We study, by means of the model proposed in Del Popolo (2009), the effect of baryon physics on the small scale problems of the CDM model. We show that, using this model, the cusp/core problem, the missing satellite problem (MSP), the Too Big to Fail (TBTF) problem, and the angular momentum catastrophe can be reconciled with observations. Concerning the cusp/core problem, the interaction among dark matter (DM) and baryonic clumps of 1% the mass of the halo, through dynamical friction (DF), is able to flatten the inner cusp of the density profiles. We moreover assume that haloes form primarily through quiescent accretion, in agreement with the spherical collapse model (SCM)-secondary infall model (SIM) prescriptions. The results of this paper follow from the two assumptions above. Concerning the MSP and TBTF problem, applying to the Via Lactea II (VL2) subhaloes a series of corrections similar to those of Brooks et al. (2013), namely applying a Zolotov et al. (2012)-like correction obtained with our model, and further correcting for the UV heating and tidal stripping, we obtain that the number of massive, luminous satellites is in agreement with the number observed in the MW. The model also produces an angular momentum distribution in agreement with observations, that is with the distribution of the angular spin parameter and angular momentum of the dwarfs studied by van den Bosch, Burkert, and Swaters (2001). In conclusion, the small scale problems of the CDM model can all be solved by introducing baryon physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Design and development of permanent magnet based focusing lens for J-Band Klystron

Applying permanent magnet technology to beam focusing in klystrons can reduce their power consumption and increase their reliability of operation. Electromagnetic design of the beam focusing elements, for high frequency travelling wave tubes, is very critical. The magnitude and profile of the magnetic field need to match the optics requirement from beam dynamics studies. The rise of the field from cathode gun region to the uniform field region (RF section) is important as the desired transition from zero to peak axial field must occur over a short axial distance. Confined flow regime is an optimum choice to minimize beam scalloping but demands an axial magnetic field greater than 2 - 3 times the Brillouin flow field. This necessitates optimization in the magnet design achieve high magnetic field within given spatial constraints. Electromagnetic design and simulations were done using 3D Finite element method (FEM) analysis software. A permanent magnet based focusing lens for a miniature J-Band klystron has been designed and developed at Control Instrumentation Division, BARC. This paper presents the design, simulation studies, beam transmission and RF tests results for J Band klystron with permanent magnet focusing lens. (author)

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Phosphorus Doping of Polycrystalline CdTe by Diffusion

Phosphorus diffusion in single crystal and polycrystalline CdTe material is explored using various methods. Dynamic secondary ion mass spectroscopy (SIMS) is used to determine 1D P diffusion profiles. A 2D diffusion model is used to determine the expected cross-sectional distribution of P in CdTe after diffusion anneals. Time of flight SIMS and cross-sectional cathodoluminescence corroborates expected P distributions. Devices fabricated with diffused P exhibit hole concentrations up to low 1015 cm-3, however a subsequent activation anneal enabled hole concentrations greater than 1016 cm-3. CdCl2 treatments and Cu based contacts were also explored in conjunction with the P doping process.

14 SOLAR ENERGY↗
DOE OSTI2015

Technical Note: Measurement of bow tie profiles in CT scanners using radiochromic film

Purpose: To provide a noninvasive technique to measure the intensity profile of the fan beam in a computed tomography (CT) scanner that is cost effective and easily implemented without the need to access proprietary scanner information or service modes. Methods: The fabrication of an inexpensive aperture is described, which is used to expose radiochromic film in a rotating CT gantry. A series of exposures is made, each of which is digitized on a personal computer document scanner, and the resulting data set is analyzed to produce a self-consistent calibration of relative radiation exposure. The bow tie profiles were analyzed to determine the precision of the process and were compared to two other measurement techniques, direct measurements from CT gantry detectors and a dynamic dosimeter. Results: The radiochromic film method presented here can measure radiation exposures with a precision of ∼6% root-mean-square relative error. The intensity profiles have a maximum 25% root-mean-square relative error compared with existing techniques. Conclusions: The proposed radiochromic film method for measuring bow tie profiles is an inexpensive (∼$100 USD + film costs), noninvasive method to measure the fan beam intensity profile in CT scanners.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

No ordinary proteins: Adsorption and molecular orientation of monoclonal antibodies

The interaction of monoclonal antibodies (mAbs) with air/water interfaces plays a crucial role in their overall stability in solution. We aim to understand this behavior using pendant bubble measurements to track the dynamic tension reduction and x-ray reflectivity to obtain the electron density profiles (EDPs) at the surface. Native immunoglobulin G mAb is a rigid molecule with a flat, “Y” shape, and simulated EDPs are obtained by rotating a homology construct at the surface. Comparing simulations with experimental EDPs, we obtain surface orientation probability maps showing mAbs transition from flat-on Y-shape configurations to side-on or end-on configurations with increasing concentration. The modeling also shows the presence of β sheets at the surface. Overall, the experiments and the homology modeling elucidate the orientational phase space during different stages of adsorption of mAbs at the air/water interface. These finding will help define new strategies for the manufacture and storage of antibody-based therapeutics.

59 BASIC BIOLOGICAL SCIENCES↗