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At least 721 records · Page 40

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NASA NTRS2012

Experimental Validation of Pulse Phase Tracking for X-Ray Pulsar Based

Pulsars are a form of variable celestial source that have shown to be usable as aids for autonomous, deep space navigation. Particularly those sources emitting in the X-ray band are ideal for navigation due to smaller detector sizes. In this paper X-ray photons arriving from a pulsar are modeled as a non-homogeneous Poisson process. The method of pulse phase tracking is then investigated as a technique to measure the radial distance traveled by a spacecraft over an observation interval. A maximum-likelihood phase estimator (MLE) is used for the case where the observed frequency signal is constant. For the varying signal frequency case, an algorithm is used in which the observation window is broken up into smaller blocks over which an MLE is used. The outputs of this phase estimation process were then looped through a digital phase-locked loop (DPLL) in order to reduce the errors and produce estimates of the doppler frequency. These phase tracking algorithms were tested both in a computer simulation environment and using the NASA Goddard Space flight Center X-ray Navigation Laboratory Testbed (GXLT). This provided an experimental validation with photons being emitted by a modulated X-ray source and detected by a silicon-drift detector. Models of the Crab pulsar and the pulsar B1821-24 were used in order to generate test scenarios. Three different simulated detector trajectories were used to be tracked by the phase tracking algorithm: a stationary case, one with constant velocity, and one with constant acceleration. All three were performed in one-dimension along the line of sight to the pulsar. The first two had a constant signal frequency and the third had a time varying frequency. All of the constant frequency cases were processed using the MLE, and it was shown that they tracked the initial phase within 0.15% for the simulations and 2.5% in the experiments, based on an average of ten runs. The MLE-DPLL cascade version of the phase tracking algorithm was used in the varying frequency case. This resulted in tracking of the phase and frequency by the DPLL outputs in both the simulation and experimental environments. The crab pulsar was experimentally tested with a trajectory with a higher acceleration. In this case the phase error tended toward zero as the observation extended to 250 seconds and the doppler frequency error tended to zero in under 100 seconds.

Experimental↗

NASA NTRSDate not supplied

Experimental Setup for Mechanically Testing Subscale Triangular, Rollable, and Collapsible Deployable Composite Booms

High-strain composite deployable space structures are used for space infrastructure and science applications such as solar array supports, antennae, camera masts, and lightweight structures supporting solar sailing propulsion ele-ments. Triangular, Rollable, and Collapsible (TRAC) deployable composite booms are one example of a high-strain composite deployable structure and were studied using novel experimental test and characterization methods developed under the Gravity Offloading and Analysis of Long Imperfection-sensitive Ele-ments (GOALIE) project. In the present work, a subscale 7-m-long TRAC boom was suspended vertically to orient gravity along the length of the boom. By ori-enting vertically, highly nonlinear and unstable behavior often encountered dur-ing horizontally oriented gravity offload testing of similar structures was reduced. Pretest analytical predictions of TRAC booms indicated three unique failure modes, loads, and locations for three unique loading cases of in-plane bending, out-of-plane bending, and axial compression. To investigate the predicted behav-ior, an experimental test was set up to impart mechanical loads to a subscale TRAC boom. The experimental setup, loading cases, and instrumentation used to characterize the mechanical response of a subscale TRAC boom are described in this paper.

High-strain composites↗

NASA NTRSDate not supplied

Experimental Setup for Mechanically Testing Subscale Triangular, Rollable, and Collapsible Deployable Composite Booms

High-strain composite deployable space structures are used for space infrastructure and science applications such as solar array supports, antennae, camera masts, and lightweight structures supporting solar sailing propulsion elements. Triangular, Rollable, and Collapsible (TRAC) deployable composite booms are one example of a high-strain composite deployable structure and were studied using novel experimental test and characterization methods developed under the Gravity Offloading and Analysis of Long Imperfection-sensitive Elements (GOALIE) project. In the present work, a subscale 7-m-long TRAC boom was suspended vertically to orient gravity along the length of the boom. By orienting vertically, highly nonlinear and unstable behavior often encountered during horizontally oriented gravity offload testing of similar structures was reduced. Pretest analytical predictions of TRAC booms indicated three unique failure modes, loads, and locations for three unique loading cases of in-plane bending, out-of-plane bending, and axial compression. To investigate the predicted behavior, an experimental test was set up to impart mechanical loads to a subscale TRAC boom. The experimental setup, loading cases, and instrumentation used to characterize the mechanical response of a subscale TRAC boom are described in this paper.

Experimental testing↗

DOE OSTI2024

BISON Simulated and Experimental Fission Product Release Comparisons from Reradiated AGR-3/4 Compacts During High Temperature Heating Tests

The fuel performance modeling code BISON was used to predict the release of fission products iodine-131 (131I), xenon-133 (133Xe), and krypton-85 (85Kr) from four re-irradiated AGR-3/4 fuel compacts containing tristructural isotropic (TRISO) coated particles during high-temperature isothermal heating tests. The AGR-3/4 fuel compacts were irradiated in the Advanced Test Reactor (ATR) as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) Program. They were subsequently stored and re-irradiated in the Neutron Radiography (NRAD) reactor for approximately five days and then stored for another five to eight days before being subjected to isothermal heating tests in the Fuel Accident Condition Simulation (FACS furnace) for 200 to 300 hours at temperatures between 1000°C and 1600°C to evaluate fission product release at elevated temperatures. New nuclide-specific fission product source term models for the three nuclides of interest were developed using the reactor multiphysics code Griffin and implemented into BISON to support this work. The new source term models were incorporated into coupled compact- and particle-scale BISON simulations, which predict spatially- and temporally-resolved radionuclide generation, radioactive decay, transport, and release throughout the entire irradiation history, including the initial ATR irradiation, NRAD re-irradiations, FACS heating tests, and intermediate periods spent in storage. The experimentally measured fission product release from the heating tests were compared to modeling release predictions calculated by BISON to evaluate how well the code compares to experimental results. Overall, the experimental measured and BISON predicted comparative release results varied but generally agreed to within 5 particle equivalents. Comparative release results identified general observations to take into consideration to help refine future models and reduce uncertainties associated with both the measurement results and predictive results. This includes developing new uranium oxycarbide (UCO) specific kernel diffusivities for the three isotopes examined to more accurately reflect the material properties of the fuel form. Deriving new diffusivities will aid in producing a more informed BISON model

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Experimental particle formation rates spanning tropospheric sulfuric acid and ammonia abundances, ion production rates, and temperatures

Abstract Binary nucleation of sulfuric acid and water as well as ternary nucleation involving ammonia are thought to be the dominant processes responsible for new particle formation (NPF) in the cold temperatures of the middle and upper troposphere. Ions are also thought to be important for particle nucleation in these regions. However, global models presently lack experimentally measured NPF rates under controlled laboratory conditions and so at present must rely on theoretical or empirical parameterizations. Here with data obtained in the European Organization for Nuclear Research CLOUD (Cosmics Leaving OUtdoor Droplets) chamber, we present the first experimental survey of NPF rates spanning free tropospheric conditions. The conditions during nucleation cover a temperature range from 208 to 298 K, sulfuric acid concentrations between 5 × 10 5 and 1 × 10 9 cm −3 , and ammonia mixing ratios from zero added ammonia, i.e., nominally pure binary, to a maximum of ~1400 parts per trillion by volume (pptv). We performed nucleation studies under pure neutral conditions with zero ions being present in the chamber and at ionization rates of up to 75 ion pairs cm −3 s −1 to study neutral and ion‐induced nucleation. We found that the contribution from ion‐induced nucleation is small at temperatures between 208 and 248 K when ammonia is present at several pptv or higher. However, the presence of charges significantly enhances the nucleation rates, especially at 248 K with zero added ammonia, and for higher temperatures independent of NH 3 levels. We compare these experimental data with calculated cluster formation rates from the Atmospheric Cluster Dynamics Code with cluster evaporation rates obtained from quantum chemistry.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data

Abstract Surface segregation, whereby the surface composition of an alloy differs systematically from the bulk, has historically been hard to study, because it requires experimental and modeling methods that span alloy composition space. In this work, we study surface segregation in catalytically relevant noble and platinum‐group metal alloys with a focus on three ternary systems: AgAuCu, AuCuPd, and CuPdPt. We develop a data set of 2478 fcc slabs with those compositions including all three low‐index crystallographic orientations relaxed with Density Functional Theory using the PBEsol functional with D3 dispersion corrections. We fine‐tune a machine learning model on this data and use the model in a series of 1800 Monte Carlo simulations spanning ternary composition space for each surface orientation and ternary chemical system. The results of these simulations are validated against prior experimental surface segregation data collected using composition spread alloy films for AgAuCu and AuCuPd. Our findings reveal that simulations conducted using the (110) orientation most closely match experimentally observed surface segregation trends, and while predicted trends qualitatively match observation, biases in the PBEsol functional limit numeric accuracy. This study advances understanding of surface segregation and the utility of computational studies and highlights the need for further improvements in simulation accuracy.

Chemistry↗

DOE OSTI2020

Tropical understory herbaceous community responds more strongly to hurricane disturbance than to experimental warming

The effects of climate change on tropical forests may have global consequences due to the forests’ high biodiversity and major role in the global carbon cycle. In this study, we document the effects of experimental warming on the abundance and composition of a tropical forest floor herbaceous plant community in the Luquillo Experimental Forest, Puerto Rico. This study was conducted within Tropical Responses to Altered Climate Experiment (TRACE) plots, which use infrared heaters under free-air, open-field conditions, to warm understory vegetation and soils + 4°C above nearby control plots. Hurricanes Irma and María damaged the heating infrastructure in the second year of warming, therefore, the study included one pretreatment year, one year of warming, and one year of hurricane response with no warming. We measured percent leaf cover of individual herbaceous species, fern population dynamics, and species richness and diversity within three warmed and three control plots. Results showed that one year of experimental warming did not significantly affect the cover of individual herbaceous species, fern population dynamics, species richness, or species diversity. In contrast, herbaceous cover increased from 20% to 70%, bare ground decreased from 70% to 6%, and species composition shifted pre to posthurricane. The negligible effects of warming may have been due to the short duration of the warming treatment or an understory that is somewhat resistant to higher temperatures. Our results suggest that climate extremes that are predicted to increase with climate change, such as hurricanes and droughts, may cause more abrupt changes in tropical forest understories than longer-term sustained warming.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Vibrational Spectra of HNIW and its Isotopologues: A Combined Experimental and Computational Study

Incorporating isotopically labelled materials in degradation experiments could help unravel the mechanism(s) of decomposition through use of the kinetic isotope effect. Characterizing synthesized isotopologues however requires an understanding of what observable signals are affected by the isotopic substitution. As vibrational spectroscopy can distinguish between isotopologues, it is an ideal characterization technique to evaluate isotopic variants. To this end, the vibrational spectra of HNIW and its deuterated ( 2 H), 13 C, 15 N (all), 15 N (nitro), and 18 O isotopologues have been computationally predicted in the gas phase using density functional theory. These results are compared to experimentally measured FTIR/ATR and Raman spectra of both unsubstituted HNIW and 15 N-labeled HNIW in which the six nitro groups were synthetically tagged with 15 N atoms ( 15 N nitro -HNIW). The experimental isotopic frequency shift for the -NO 2 asymmetric stretching frequencies agrees with that theoretically calculated (~35.7 cm-1 vs. 36.5cm-1, respectively). Furthermore, analysis of the theoretically predicted frequency shifts for all isotopologues suggest the -NO 2 bending modes are lower in frequency than previously reported. This assignment is supported by the experimentally measured isotopic shift of ~10.1 cm -1 for these features (consistent with the predicted shift of ~13.1 cm -1 ). This work expands our current understanding of the vibrational modes in HNIW as well as provides a method for future work on similar systems.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Theoretical and experimental evidence of conformational transformation in stereoisomers of nucleoside analogues

A theoretical and experimental characterization of N(1)-(2',3'-dihydroxypropil)thymine (DHPT), a potential prebiotic nucleoside analogue of 5-methyluridine, is performed. A proposed methodology based on a solvation method was used to study conformational transformations of the different low-energy conformers of DHPT according to time-dependent IR spectroscopy. NMR and CD spectroscopy provides additional evidence of these transformations. The conformational transformations appear to be due to solvent and DHPT interactions. This highlights the importance of experimental conditions on conformer ratio equilibrium, in particular, the interpretation of experimental conditions used for determining the stereoisomers' absolute configuration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Hydroxyl radical‐driven transformations of bisphenol A and 2,4‐dinitroanisole: Experimental and computational analysis

Abstract This study used experimental and computational analysis to investigate the advanced oxidation of bisphenol A (BPA) and 2,4‐dinitroanisole (DNAN). The pseudo first‐order reaction rate constants depended on the molar peroxide ratio and were between 0.13 and 0.28 min −1 for BPA and between 0.018 and 0.032 min −1 for DNAN. The kinetic differences appear to be due in part to the energy requirements for oxidation, which depended on the reaction mechanism but were typically lower for BPA than they were for DNAN. Density functional theory (DFT) was used to develop transformation pathways that included experimentally‐detected byproducts. The most energetically favored pathway for BPA oxidation begins with the formation of hydroxylated derivatives, while for DNAN, the most energetically favorable degradation pathway begins with the substitution of the methoxy group. Overall, these findings demonstrate the power of combining experimental and computational tools to reveal transformation mechanisms during water treatment. Practitioner Points Advanced oxidation transformations for two emerging water pollutants, bisphenol A and dinitroanisole, was investigated. The observed reaction kinetics depended on molar peroxide ratio in a manner that is in keeping with previous findings. Density functional theory‐based analysis revealed reaction energy requirements and degradation pathways.

Engineering↗

DOE OSTI2020

Calibration of hyperelastic constitutive models: the role of boundary conditions, search algorithms, and experimental variability

The calibration of hyperelastic constitutive models of soft tissue and tissue surrogates is often treated as an exercise in curve-fitting to the average experimental response, and many of the complicating factors such as experimental boundary conditions and data variability are ignored. Here, we focus on three questions that arise in this area: the ramifications of ignoring the experimental boundary conditions, the use of local optimizers, and the role of data variability. Using data from a uniaxial extension experiment on a tissue surrogate, we study how these three factors affect the calibration of isotropic hyperelastic constitutive models. Our results show that even with the simplest of constitutive models, it is necessary to look beyond a "good fit" to the average.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Experimental and Computational Investigation of the Emission of Radioactive Products from Irradiated Fuel of Fast Sodium-Cooled Reactor

The key experimental and computational studies of the emission of long-lived radioactive fission products and actinides from uranium dioxide irradiated in BN-600 into sodium and the gas phase in the range 150–800°C, performed on the experimental bench at the Leipunskii Institute of Physics and Power Engineering, are presented. The results of measurements of the properties of aerosols of certain radioactive fission products formed upon heating of irradiated nuclear fuel in sodium are presented. The experimental results are of interest for evaluating the radiation impact of reactor facilities on workers and the public during beyond design basis accidents.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Computational and Experimental Studies of Mixing of a Light Gas in the ERCOSAM–SAMARA Projects

Severe accidents in NPP with VVER can be accompanied by hydrogen entering the containment space. The aim of the present work is an experimental and computational study of the possibility of hydrogen stratification in the containment in a scenario replicating the sequence of events occurring during a severe accident with hydrogen emission in a light-water reactor taking account of the impact of accident control on the distribution of a light gas. Euratom and the government corporation Rosatom performed the studies as part of two parallel projects – ERCOSAM and SAMARA. The experimental studies show that heat exchangers aand recombiners do bring about complete mixing of the light gas; a sprinkler system affords mixing of the stratified layer. The experimental studies confirm the results of numerical modeling.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Experimental Determination of Combustion Characteristics for Commercial Biodiesel and 0# Diesel

In this project, we have experimentally studied the combustion characteristics of commercial refined biodiesel and 0# diesel. Combustion of these two types of flammable liquids was carried out in a calorimeter to measure their heat release rate. The results showed that the heat release rate, which is one of the most significant properties in studying combustion, varies significantly depending on the samples and the dimensions of the circular burner. With the aim of evaluating the combustion characteristics, we also determined and analyzed other key properties of the fuels such as flash point, total heat release, and mass loss rate, which reflect the fire hazard. The results provide an experimental basis for developing fire protection measures during use, storage, and distribution of biodiesel. The flash point of biodiesel is higher than for 0# diesel, while the heat release rate, the experimental total heat release, the average combustion temperature and the radiation of biodiesel are lower than for 0# diesel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Review of the synergies between computational modeling and experimental characterization of materials across length scales

With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends in which predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure–property relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanics community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to “simply” support experimental work. This is illustrated by examples from several application areas on structural materials. In conclusion this manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.

3-D microstructure characterization↗

DOE OSTI2019

Experimental Validation of the Horikx Theory to be Used in the Rubber Devulcanization Analysis

The waste rubber and end-of-life tires management has become a serious environmental problem. It is well known that the best way to carry out the disposal of these wastes is through recycling by devulcanization. Therefore, in the last decades, many methods have been developed to perform this treatment. Nevertheless, the degree and quality of the achieved devulcanization is still difficult to evaluate. The Horikx theory is an approach often used for this purpose. Hence, in this work, the validity of this theory was experimentally checked. The theoretical curve that represents crosslink scission was experimentally built for sulfur-cured natural rubber, sulfur-cured natural rubber reinforced with carbon black, sulfur-cured ethylene propylene diene monomer rubber and peroxide-cured ethylene propylene diene monomer rubber. Several samples with vulcanization (or devulcanization) degree ranging from 0 to 100% were processed, and the corresponding soluble fractions and crosslink densities were measured by the swelling test. The experimental results were in good agreement with the theoretical predictions, independently of the studied material, fact that confirms the validity of the Horikx approach. This finding will contribute to improve the waste rubber devulcanization, and therefore to progress in the environmental protection.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2019

Theoretical and experimental analysis of bidirectionally pumped 1.3 μm Pr{sup 3+}-doped ASE source

We have analyzed the characteristics of 1.3 μm praseodymium (Pr{sup 3+}) doped bidirectionally pumped double pass (BIP-DP) configuration amplified spontaneous emission (ASE) source theoretically and experimentally. The source’s simulation model was established and corresponding simulated results were given. The effects of pump ratio, Pr{sup 3+}-doped fiber (PDF) length, total pump power and source’s optical losses were researched. The output power of BIP-DP ASE source is mainly affected by the total pump power, PDF length and source’s optical losses, while it has little relationship with the pump ratio. The BIP-DP ASE source operating at the symmetric bi-directional pump condition was constructed experimentally. The acquired output power of more than 5 mW has been obtained experimentally, which was with the quasi-gaussian output spectrum, and its 3 dB bandwidth is ~ 20 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Codimerization of norbornene and 1,3-cyclopentadiene: quantum chemical and experimental research

A comprehensive theoretical and experimental research of the diene synthesis involving norbornene (1) and 1,3-cyclopentadiene (2) was carried out. The thermodynamic and kinetic parameters were evaluated by quantum chemical methods, and the structures of stereoisomeric products and the quantitative estimation of their ratio were predicted. The results of quantum chemical analysis were experimentally confirmed. The structures of codimers of 1 with 2 and their ratio were determined by a number of physicochemical methods. A strategy combining the theoretical and experimental studies and enabling to optimize the search for objects for the synthesis and reaction conditions was proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗