Search NASA⌕ Search

SEARCH · Search NASA

Results for “validation method”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Datasets of a Multizone Office Building under Different HVAC System Operation Scenarios

Abstract This study provides an open-source dataset of the measured weather data, building indoor data, and system data under the different test settings. The test building is the two-story Flexible Research Platform building at the US Department of Energy’s Oak Ridge National Laboratory, in Oak Ridge, Tennessee. Four heating tests and three cooling tests were conducted. The 1-min interval of weather, building indoor data, and system data from each test setting are provided. Actual weather data were collected from a weather station installed on the roof. This paper describes information on the test building and installed sensors, data collection method, and data validation. The provided dataset can be employed to understand HVAC system conditions and building indoor conditions under different HVAC system operations and the performance of building envelope without HVAC system operation using free-floating test data. Additionally, it can be used for empirical validation of the building energy modelling engine.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Single-shot 3D coherent diffractive imaging of core-shell nanoparticles with elemental specificity

We report 3D coherent diffractive imaging (CDI) of Au/Pd core-shell nanoparticles with 6.1nm spatial resolution with elemental specificity. We measured single-shot diffraction patterns of the nanoparticles using intense x-ray free electron laser pulses. By exploiting the curvature of the Ewald sphere and the symmetry of the nanoparticle, we reconstructed the 3D electron density of 34 core-shell structures from these diffraction patterns. To extract 3D structural information beyond the diffraction signal, we implemented a super-resolution technique by taking advantage of CDI’s quantitative reconstruction capabilities. We used high-resolution model fitting to determine the Au core size and the Pd shell thickness to be 65.0±1.0nm and 4.0±0.5nm, respectively. We also identified the 3D elemental distribution inside the nanoparticles with an accuracy of 3%. To further examine the model fitting procedure, we simulated noisy diffraction patterns from a Au/Pd core-shell model and a solid Au model and confirmed the validity of the method. We anticipate this super-resolution CDI method can be generally used for quantitative 3D imaging of symmetrical nanostructures with elemental specificity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Drop impact on hot plates: contact times, lift-off and the lamella rupture

When a liquid drop impacts on a heated substrate, it can remain deposited, or violently boil in contact, or lift off with or without ever touching the surface. The latter is known as the Leidenfrost effect. The duration and area of the liquid–substrate contact are highly relevant for the heat transfer, as well as other effects such as corrosion. However, most experimental studies rely on side view imaging to determine contact times, and those are often mixed with the time until the drop lifts off from the substrate. In this work, we develop and validate a reliable method of contact time determination using high-speed X-ray imaging and total internal reflection imaging. We exemplarily compare contact and lift-off times on flat silicon and sapphire substrates. We show that drops can rebound even without formation of a complete vapor layer, with a wide range of lift-off times. On sapphire, we find a local minimum of lift-off times that is much shorter than expected from capillary rebound in the comparatively low-temperature regime of transition boiling/thermal atomization. We elucidate the underlying mechanism related to spontaneous rupture of the lamella and receding of the contact area.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Intrinsic and extinction colour components in SNe Ia and the determination of R V

Context.The colour fluctuations of type Ia supernovae (SNe Ia) include intrinsic and extrinsic components, which both contribute to the observed variability. Previous works proposed a statistical separation of these two contributions, but the individual intrinsic colour contributions of each SN Ia were not extracted. In addition, a large uncertainty remains on the value of the parameterR V , which characterises the dust extinction formula. Aims.Leveraging the known parameterisation of the extinction formula for dust in our Galaxy, and applying it to the host galaxy of SNe Ia, we propose a new method of separation –valid for each SN– using the correlations between colour fluctuations. This also allows us to derive a well-constrained value of the extinction parameterR V with different, possibly smaller systematic errors. We also define a three-dimensional space of intrinsic colour fluctuations. Methods.The key ingredients in this attempt at separating the intrinsic and extinction colour components for each SN –and subsequently measuringR V – are the assumption of a linearized dependence of magnitude on the extinction component of colour, a one-dimensional extra-intrinsic colour space (in addition to CaII H&Kλ3945 and Si IIλ4131 contributions) over four independent colours, and the absence of correlation between the intrinsic and extrinsic variabilities. Results.We show that a consistent solution is found under the previous assumptions, but the observed systematic trends point to a (small) inadequacy of the extinction formula. Once corrected, all systematic extinction effects can be cancelled by choosing a single scaling of the extinction colour component as well as an appropriate value ofR V = 2.181 ± 0.117. The observed colours are described within an accuracy of 0.025 mag. The resulting magnitude variability is 0.13 over allUBVRIbandpasses, and this fluctuation is shown to be independent of the bandpass to within 0.02 mag.

Astronomy & Astrophysics↗
DOE OSTI2014

Classical nuclear motion coupled to electronic non-adiabatic transitions

Based on the exact factorization of the electron-nuclear wave function, we have recently proposed a mixed quantum-classical scheme [A. Abedi, F. Agostini, and E. K. U. Gross, Europhys. Lett. 106, 33001 (2014)] to deal with non-adiabatic processes. Here we present a comprehensive description of the formalism, including the full derivation of the equations of motion. Numerical results are presented for a model system for non-adiabatic charge transfer in order to test the performance of the method and to validate the underlying approximations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ultrasonic power transfer from a spherical acoustic wave source to a free-free piezoelectric receiver: Modeling and experiment

Contactless powering of small electronic components has lately received growing attention for wireless applications in which battery replacement or tethered charging is undesired or simply impossible, and ambient energy harvesting is not a viable solution. As an alternative to well-studied methods of contactless energy transfer, such as the inductive coupling method, the use of ultrasonic waves transmitted and received by piezoelectric devices enables larger power transmission distances, which is critical especially for deep-implanted electronic devices. Moreover, energy transfer by means of acoustic waves is well suited in situations where no electromagnetic fields are allowed. The limited literature of ultrasonic acoustic energy transfer is mainly centered on proof-of-concept experiments demonstrating the feasibility of this method, lacking experimentally validated modeling efforts for the resulting multiphysics problem that couples the source and receiver dynamics with domain acoustics. In this work, we present fully coupled analytical, numerical, and experimental multiphysics investigations for ultrasonic acoustic energy transfer from a spherical wave source to a piezoelectric receiver bar that operates in the 33-mode of piezoelectricity. The fluid-loaded piezoelectric receiver under free-free mechanical boundary conditions is shunted to an electrical load for quantifying the electrical power output for a given acoustic source strength of the transmitter. The analytical acoustic-piezoelectric structure interaction modeling framework is validated experimentally, and the effects of system parameters are reported along with optimal electrical loading and frequency conditions of the receiver.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

3D TEM reconstruction and segmentation process of laminar bio-nanocomposites

The microstructure of laminar bio-nanocomposites (Poly (lactic acid)(PLA)/clay) depends on the amount of clay platelet opening after integration with the polymer matrix and determines the final properties of the material. Transmission electron microscopy (TEM) technique is the only one that can provide a direct observation of the layer dispersion and the degree of exfoliation. However, the orientation of the clay platelets, which affects the final properties, is practically immeasurable from a single 2D TEM image. This issue can be overcome using transmission electron tomography (ET), a technique that allows the complete 3D characterization of the structure, including the measurement of the orientation of clay platelets, their morphology and their 3D distribution. ET involves a 3D reconstruction of the study volume and a subsequent segmentation of the study object. Currently, accurate segmentation is performed manually, which is inefficient and tedious. The aim of this work is to propose an objective/automated segmentation methodology process of a 3D TEM tomography reconstruction. In this method the segmentation threshold is optimized by minimizing the variation of the dimensions of the segmented objects and matching the segmented V{sub clay} (%) and the actual one. The method is first validated using a fictitious set of objects, and then applied on a nanocomposite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Cascaded radiation pressure acceleration

A cascaded radiation-pressure acceleration scheme is proposed. When an energetic proton beam is injected into an electrostatic field moving at light speed in a foil accelerated by light pressure, protons can be re-accelerated to much higher energy. An initial 3-GeV proton beam can be re-accelerated to 7 GeV while its energy spread is narrowed significantly, indicating a 4-GeV energy gain for one acceleration stage, as shown in one-dimensional simulations and analytical results. The validity of the method is further confirmed by two-dimensional simulations. This scheme provides a way to scale proton energy at the GeV level linearly with laser energy and is promising to obtain proton bunches at tens of gigaelectron-volts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Temperature-dependent dielectric functions in atomically thin graphene, silicene, and arsenene

The dielectric functions of atomically thin graphene, silicene, and arsenene have been investigated as a function of temperature. With zero energy gap, more carriers in graphene and silicene are thermally excited as temperature increases and intraband transition strengthens, resulting in the strengthened absorption peak. Yet with large energy gap, interband transition dominates optical absorption of arsenene but it reduces as lattice vibration enhances, inducing the redshift and decreased absorption peak. To validate the theoretical method, the calculated optical constants of isolated graphene are compared with ellipsometry results and demonstrate good agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Solitary waves in a self-gravitating opposite polarity dust-plasma medium

A more general and realistic dusty plasma model, namely, self-gravitating opposite polarity dust-plasma system (containing inertial positive and negative dust, and inertialess ions and electrons following Maxwellian distribution) is considered. The possibility for the formation of solitary electrostatic and self-gravitational potential structures in such a dust-plasma system is thoroughly examined. The standard reductive perturbation method, which is valid for small but finite amplitude solitary structures, is employed. The parametric regimes for the existence of solitary electrostatic and self-gravitational potential structures, and their basic properties (viz., polarity, amplitude, width, and speed) are found to be significantly modified by the combined effects of positively charged dust component and self-gravitational field. The applications of the present investigation in different space dusty plasma environments and laboratory dusty plasma devices are briefly discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Quantification of protein interaction kinetics in a micro droplet

Characterization of protein interactions is essential to the discovery of disease biomarkers, the development of diagnostic assays, and the screening for therapeutic drugs. Conventional flow-through kinetic measurements need relative large amount of sample that is not feasible for precious protein samples. We report a novel method to measure protein interaction kinetics in a single droplet with sub microliter or less volume. A droplet in a humidity-controlled environmental chamber is replacing the microfluidic channels as the reactor for the protein interaction. The binding process is monitored by a surface plasmon resonance imaging (SPRi) system. Association curves are obtained from the average SPR image intensity in the center area of the droplet. The washing step required by conventional flow-through SPR method is eliminated in the droplet method. The association and dissociation rate constants and binding affinity of an antigen-antibody interaction are obtained by global fitting of association curves at different concentrations. The result obtained by this method is accurate as validated by conventional flow-through SPR system. This droplet-based method not only allows kinetic studies for proteins with limited supply but also opens the door for high-throughput protein interaction study in a droplet-based microarray format that enables measurement of many to many interactions on a single chip.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Evaluation of reconstruction errors and identification of artefacts for JET gamma and neutron tomography

The Joint European Torus (JET) neutron profile monitor ensures 2D coverage of the gamma and neutron emissive region that enables tomographic reconstruction. Due to the availability of only two projection angles and to the coarse sampling, tomographic inversion is a limited data set problem. Several techniques have been developed for tomographic reconstruction of the 2-D gamma and neutron emissivity on JET, but the problem of evaluating the errors associated with the reconstructed emissivity profile is still open. The reconstruction technique based on the maximum likelihood principle, that proved already to be a powerful tool for JET tomography, has been used to develop a method for the numerical evaluation of the statistical properties of the uncertainties in gamma and neutron emissivity reconstructions. The image covariance calculation takes into account the additional techniques introduced in the reconstruction process for tackling with the limited data set (projection resampling, smoothness regularization depending on magnetic field). The method has been validated by numerically simulations and applied to JET data. Different sources of artefacts that may significantly influence the quality of reconstructions and the accuracy of variance calculation have been identified.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

First-principles study on equation of states and electronic structures of shock compressed Ar up to warm dense regime

The equation of states (EOS) and electronic structures of argon with temperatures from 0.02 eV to 3 eV and densities from 0.5 g/cm{sup 3} to 5.5 g/cm{sup 3} are calculated using the pair potential and many-body potential molecular dynamics and the density functional theory (DFT) molecular dynamics with van der Waals (vdW) corrections. First-principles molecular dynamics is implemented above 2.0 g/cm{sup 3}. For the cases of low densities below 3 g/cm{sup 3}, we performed pair potential molecular dynamics in order to obtain the ionic configurations, which are used in density functional theory to calculate the EOS and electronic structures. We checked the validity of different methods at different densities and temperatures, showing their behaviors by comparing EOS. DFT without vdW correction works well above 1 eV and 3.5 g/cm{sup 3}. Below 1 eV and 2.0 g/cm{sup 3}, it overestimates the pressure apparently and results in incorrect behaviors of the internal energy. With vdW corrections, the semi-empirical force-field correction (DFT-D2) method gives consistent results in the whole density and temperature region, and the vdW density functional (vdW-DF2) method gives good results below 2.5 g/cm{sup 3}, but it overestimates the pressure at higher densities. The interactions among the atoms are overestimated by the pair potential above 1 eV, and a temperature dependent scaled pair potential can be used to correct the ionic configurations of the pair potential up to 3 eV. The comparisons between our calculations and the experimental multi-shock compression results show that the Hugoniot line of DFT-D2 and DFT tends to give larger pressure than the results of the self-consistent fluid variational theory, and the difference increases with the density. The electronic energy gap exists for all our cases up to 5.5 g/cm{sup 3} and 1 eV. The effect of vdW interactions on the electronic structures are also discussed.

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

Anion diffusion in two-dimensional halide perovskites

Commercialization of halide perovskites in the semiconductor industry is hindered by their short-term stability. The instability of perovskites is closely interlinked with ionic diffusion. Historically, attempts to study diffusion in 2D perovskites mostly utilized electrical characterizations, but these characterizations pose a challenge in deconvoluting the impact of device architecture, interlayers, and ionic species. In this Perspective, we focus our attention on simple optical characterizations employed in the literature to investigate halide diffusion in 2D perovskites using lateral and vertical heterostructure platforms. We review the various synthesis techniques used for fabrication of halide perovskite heterostructures and discuss the qualitative and quantitative diffusion studies performed using these platforms. We discuss the numerical methods used to validate and supplement the experimental halide diffusion kinetics. Finally, we highlight the need to conduct further research on the impact of device operating conditions, lattice structure, and vacancy concentration on halide diffusion. Through this Perspective, we aim to emphasize the need of developing a comprehensive understanding of halide diffusion in perovskites for their successful deployment in optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Simultaneous measurement of specific heat and thermal conductivity in pulsed magnetic fields

Here we report an experimental setup for simultaneously measuring specific heat and thermal conductivity in feedback-controlled pulsed magnetic fields of 50 ms duration at cryogenic temperatures. A stabilized magnetic field pulse obtained by the feedback control, which dramatically improves the thermal stability of the setup and sample, is used in combination with the flash method to obtain absolute values of thermal properties up to 37.2 T in the 22–16 K temperature range. We describe the experimental setup and demonstrate the performance of the present method with measurements on single-crystal samples of the geometrically frustrated quantum spin-dimer system SrCu 2 (BO 3 ) 2 . Our proof-of-principle results show excellent agreement with data taken using a standard steady-state method, confirming the validity and convenience of the present approach.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Quantitative uranium elemental reconstruction using spectral x-ray radiography

X-ray radiography offers the ability to noninvasively inspect the internal structure and material composition of objects. Dual-energy radiography allows material discrimination but is limited in quantitative material measurements due to the broad nature of the interrogating x-ray spectrum. Spectral radiography detectors provide an observation of not just the number of x rays that are transmitted through a sample but also the spectrum. Here, experimental validations of a method to use spectral x-ray radiography to accurately quantify the uranium mass in a powder are presented. An accurate system response model was developed, which includes a model of the incident x-ray source spectrum and a pixel-wise detector response that describes how the transmitted x rays were observed. Further, a calibration to account for the effect of partial x-ray attenuation was developed. As a result, the method is demonstrated to be capable of estimating the uranium mass in a variety of uranium oxide powders to a bias of –0.01±0.62%.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Sub-nanosecond time-resolved radiation measurement using x-ray focusing crystal spectrometers

Here, in this paper, we describe a technique using a crystal spectrometer, a silicon-diode detector, and a filtered photoconductive detector to monitor photon energies in the L-shell (0.9–1 keV) and K-shell regimes for nickel and copper hybrid X-pinch x-ray sources. The detectors, system cabling, and an 8 GHz digital oscilloscope in combination enable time resolution better than 200 ps for photoconductive detectors and 700 ps for silicon-diode detectors of the K- and L-shell radiation signals, respectively. We substantially improve the relative timing of signals obtained using the oscilloscope by using an x-ray streak camera with a crystal spectrometer to monitor the L-shell line spectra and, separately, the K-shell line spectra relative to the continuum burst to better than 17 ps time resolution. This combination of instruments enabled and validated a new method by which plasma conditions in nickel and copper X-pinches can be assessed immediately before and after the ~30 ps continuum x-ray burst produced by 370 kA hybrid X-pinches. In general, the method described here can be applied to observe otherwise highly filter-absorbed radiation in the presence of a broad spectrum of higher energy radiation by combining x-ray crystals and detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Computational prediction of the effect of amino acid changes on the binding affinity between SARS-CoV-2 spike RBD and human ACE2

The association of the receptor binding domain (RBD) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein with human angiotensin-converting enzyme 2 (hACE2) represents the first required step for cellular entry. SARS-CoV-2 has continued to evolve with the emergence of several novel variants, and amino acid changes in the RBD have been implicated with increased fitness and potential for immune evasion. Reliably predicting the effect of amino acid changes on the ability of the RBD to interact more strongly with the hACE2 can help assess the implications for public health and the potential for spillover and adaptation into other animals. Here, we introduce a two-step framework that first relies on 48 independent 4-ns molecular dynamics (MD) trajectories of RBD-hACE2 variants to collect binding energy terms decomposed into Coulombic, covalent, van der Waals, lipophilic, generalized Born solvation, hydrogen bonding, π-π packing, and self-contact correction terms. The second step implements a neural network to classify and quantitatively predict binding affinity changes using the decomposed energy terms as descriptors. The computational base achieves a validation accuracy of 82.8% for classifying single–amino acid substitution variants of the RBD as worsening or improving binding affinity for hACE2 and a correlation coefficient of 0.73 between predicted and experimentally calculated changes in binding affinities. Both metrics are calculated using a fivefold cross-validation test. Our method thus sets up a framework for screening binding affinity changes caused by unknown single– and multiple–amino acid changes offering a valuable tool to predict host adaptation of SARS-CoV-2 variants toward tighter hACE2 binding.

60 APPLIED LIFE SCIENCES↗