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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Combined Experimental-Computational Confirmation of the Seismic Stability of the Branched Pipelines of Systems of Nuclear Power Stations

The increase in the extent and degree of complication of the geometry of the branched pipelines of nuclear power stations has led to the appearance of natural forms of vibrations with frequencies that cannot be determined by the traditional combined experimental-computational method. This has made it necessary to develop new approaches to the experimental determination of the dynamic characteristics and to the selection of the boundaries of the design plans. Through use of the proposed correction to the technique and algorithm used in the estimation of the seismic stability of pipelines it has been possible to increase the precision with which the lowest frequencies of the natural vibrations are determined and, in certain cases, to also reduce the volume of operations through “targeted” testing performed at sites of expected maximal amplitudes of the lowest forms of vibrations.

42 ENGINEERING↗
DOE OSTI2023

Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV- 2 main protease

Identification of potential therapeutic candidates can be expedited by integrating computational modeling with domain aware machine learning (ML) approaches followed by experimental validation. Generative deep learning models have been recently developed that can generate thousands of new candidates, but their physiochemical properties are typically not optimized. Using our deep learning models and a scaffold as a starting point, we generated tens of thousands of compounds for SARS-CoV-2 M pro that preserve the core scaffold. Here we utilized and implemented several computational tools such as structural alert and toxicity analysis, high throughput virtual screening, ML-based 3D quantitative structure–activity relationships, multi-parameter optimization, and graph neural networks on libraries of generated candidates to predict biological activity and binding affinity a priori. From these collective computational results, eight promising candidates were identified and tested experimentally using Native Mass Spectrometry (MS) and FRET-based functional assays. Two compounds, with quinazoline-2-thiol and acetylpiperidine core moiety showed IC 50 values in the low micromolar range: 2.95±0.0017 µM and 3.41±0.0015 µM, respectively. The molecular dynamics simulations further highlight that binding of these compounds results in allosteric modulations in the chain B and the interface domains of the M pro . The key fragments from these top hits can be used as input for closed loop lead optimization in the integrated pipeline.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

High-Temperature Superconductivity in Hydrides: Experimental Evidence and Details

Abstract Since the discovery of superconductivity at ~ 200 K in H 3 S [1], similar or higher transition temperatures, T c s, have been reported for various hydrogen-rich compounds under ultra-high pressures [2]. Superconductivity was experimentally proved by different methods, including electrical resistance, magnetic susceptibility, optical infrared, and nuclear resonant scattering measurements. The crystal structures of superconducting phases were determined by X-ray diffraction. Numerous electrical transport measurements demonstrate the typical behavior of a conventional phonon-mediated superconductor: zero resistance below T c , shift of T c to lower temperatures under external magnetic fields, and pronounced isotope effect. Remarkably, the results are in good agreement with the theoretical predictions, which describe superconductivity in hydrides within the framework of the conventional BCS theory. However, despite this acknowledgement, experimental evidences for the superconducting state in these compounds have recently been treated with criticism [3–7], which apparently stems from misunderstanding and misinterpretation of complicated experiments performed under very high pressures. Here, we describe in greater detail the experiments revealing high-temperature superconductivity in hydrides under high pressures. We show that the arguments against superconductivity [3–7] can be either refuted or explained. The experiments on the high-temperature superconductivity in hydrides clearly contradict the theory of hole superconductivity [8] and eliminate it [3].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Experimental Determination of Solubilities of Brucite [Mg(OH) 2 (cr)] in Na 2 SO 4 Solutions with Borate to High Ionic Strengths: Interactions of MgB(OH) 4 + with Na 2 SO 4

In this paper, a solubility study on brucite [Mg(OH) 2 (cr)] in Na 2 SO 4 solutions ranging from 0.01 to 1.8 mol•kg –1 , with 0.001 mol•kg –1 borate, has been conducted at 22.5°C. Based on the solubility data, the Pitzer interaction parameters for MgB(OH) 4 + —SO 4 2– and MgB(OH) 4 + —Na+ along with the formation constant for MgSO 4 (aq) are evaluated using the Pitzer model. The formation constant (log 10 β 1 0 = 2.38 ± 0.08) for MgSO 4 (aq) at 25°C and infinite dilution obtained in this study is in excellent agreement with the literature values. The experimental data on the solubility of gypsum (CaSO 4 •2H 2 O), at 25°C, in aqueous solutions of MgSO 4 with ionic strengths up to ~11 mol•kg –1 were analyzed using models with and without considering the MgSO 4 (aq) species. The model incorporating MgSO 4 (aq) fits better to the experimental data than the model without MgSO 4 (aq), especially in the ionic strength range beyond ~4 mol•kg –1 , demonstrating the need for incorporation of MgSO 4 (aq) into the model to improve the accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Radiochemical separations and experimental measurements of short-lived fission products from 14 MeV irradiation of depleted uranium

Here, this work focused on the experimental analysis of depleted uranium irradiated with 14 MeV neutrons to obtain fission yields for 20 fission products with half-lives ranging from 16.8 h to 30.1 years. Several analytes were identified where improvements to the available nuclear data would be beneficial. The results obtained from this experiment could be used to make improvements to cumulative fission yield data once confirmatory measurements are made. The required separations will be described along with a comparison to the reported Evaluated Nuclear Data File fission yields and other experimental measurements.

14 MeV fission↗
DOE OSTI2020

An Experimental Method to Measure Gaseous Diffusivity in Tight and Partially Saturated Porous Media via Continuously Monitored Mass Spectrometry

Detection of radioxenon and radioargon produced by underground nuclear explosions is one of the primary methods by which the Comprehensive Nuclear-Test–Ban Treaty (CTBT) monitors for nuclear activities. However, transport of these noble gases to the surface via barometric pumping is a complex process relying on advective and diffusive processes in a fractured porous medium to bring detectable levels to the surface. To better understand this process, experimental measurements of noble gas and chemical surrogate diffusivity in relevant lithologies are necessary. However, measurement of noble gas diffusivity in tight or partially saturated porous media is challenging due to the transparent nature of noble gases, the lengthy diffusion times, and difficulty maintaining consistent water saturation. Here, the quasi-steady-state Ney–Armistead method is modified to accommodate continuous gas sampling via effusive flow to a mass spectrometer. An analytical solution accounting for the cumulative sampling losses and induced advective flow is then derived. Experimental results appear in good agreement with the proposed theory, suggesting the presence of retained groundwater reduces the effective diffusivity of the gas tracers by 10–1000 times. Finally, by using a mass spectrometer, the method described herein is applicable to a broad range of gas species and porous media.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

An experimental investigation on acoustic emission characteristics of sandstone rockburst with different moisture contents

Rockburst occurred frequently during deep mining in China. The mechanism of rockburst is very complicated and related to many factors. In order to investigate the influence of moisture contents of rockmass on rockburst, we conducted a series of laboratory rockburst experiments of sandstone under three different moisture contents by the Modified True-Triaxial Apparatus (MTTA), in which the acoustic emission (AE) system was employed to monitor the internal damage of rock mass. A high-speed video camera was utilized to record the detail of rockburst. Based on the experimental results, the AE characteristics, such as AE count, AE energy, and AE frequency, were analyzed. The rockburst process, type, and indensity under different moisture contents were discussed. The research results show that with the increase of moisture contents, rock strength was soften, the elastic and the cumulative damage of the rock were reduced, resulting in a gradual decrease in AE cumulative counts and cumulative energy over the course of rockburst. Finally, this study provides an experimental basis and reference for better understanding to the rockburst mechanism and control.

58 GEOSCIENCES↗
DOE OSTI2017

Experimental Investigation of Gas/Slag/Matte/Tridymite Equilibria in the Cu-Fe-O-S-Si System in Controlled Atmospheres: Development of Technique

The majority of primary pyrometallurgical copper making processes involve the formation of two immiscible liquid phases, i.e., matte product and the slag phase. There are significant gaps and discrepancies in the phase equilibria data of the slag and the matte systems due to issues and difficulties in performing the experiments and phase analysis. The present study aims to develop an improved experimental methodology for accurate characterisation of gas/slag/matte/tridymite equilibria in the Cu-Fe-O-S-Si system under controlled atmospheres. The experiments involve high-temperature equilibration of synthetic mixtures on silica substrates in CO/CO{sub 2}/SO{sub 2}/Ar atmospheres, rapid quenching of samples into water, and direct composition measurement of the equilibrium phases using Electron Probe X-ray Microanalysis (EPMA). A four-point-test procedure was applied to ensure the achievement of equilibrium, which included the following: (i) investigation of equilibration as a function of time, (ii) assessment of phase homogeneity, (iii) confirmation of equilibrium by approaching from different starting conditions, and (iv) systematic analysis of the reactions specific to the system. An iterative improved experimental methodology was developed using this four-point-test approach to characterize the complex multi-component, multi-phase equilibria with high accuracy and precision. The present study is a part of a broader overall research program on the characterisation of the multi-component (Cu-Fe-O-S-Si-Al-Ca-Mg), multi-phase (gas/slag/matte/metal/solids) systems with minor elements (Pb, Zn, As, Bi, Sn, Sb, Ag, and Au).

36 MATERIALS SCIENCE↗
DOE OSTI2018

Study of a Single-Power Two-Circuit ESR Process with Current-Carrying Mold: Mathematical Simulation of the Process and Experimental Verification

A novel single-power two-circuit ESR process (ESR-STCCM) with current-carrying mold has been investigated via numerical simulation and experimental research in this paper. A 2D quasi-steady-state mathematical model is developed to describe ESR-STCCM. The electromagnetic field, flow field, slag pool temperature distribution, and the shape of a molten steel pool in ESR-STCCM have been investigated by FLUENT software as well as user-defined functions (UDF). The results indicate that ESR-STCCM is different from the conventional ESR process. The maximum electromagnetic force, current density, Joule heat, and slag pool flow velocity are located in the lower part of the conductor in the ESR-STCCM process. The direction of the maximum electromagnetic force inclines upward. There are two distinct vortices in the slag pool. The larger swirl rotates counterclockwise near the conductor, with a value of 0.0263 m s{sup −1} due to the interaction of the electromagnetic force and gravity. The maximum temperature of the slag pool is 2070 K (1797 °C) and is located in the center of the swirl with a filling ratio of 0.6 and a 20 mm electrode immersion depth. The depth of a molten steel pool is shallower, which is conducive to improving solidification quality. In addition, the filling ratio of 0.6 is conducive to controlling steel solidification quality. Some experiments have been done, and the numerical model is confirmed by experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Numerical Simulation and Experimental Validation of Nondendritic Structure Formation in Magnesium Alloy Under Oscillation and Ultrasonic Vibration

In this study, the formation of nondendritic structures in the primary phase of magnesium alloy solidified under oscillation and ultrasonic vibration was investigated by numerical simulation and experimentally. The growth and motion of a dendrite during solidification was simulated by a combination of the lattice Boltzmann method and the phase-field method. The simulation and experimental results indicated that higher oscillation amplitudes and acoustic streaming made the microstructures change from dendritic to nondendritic in the α-Mg primary phases. A sufficient shear stress and an appropriate flow time in the barrel should be satisfied when a given inclined angle is selected. The effects of the flow and the thermal field on the nucleation behavior, the constitutional undercooling, and the growth morphology are also discussed. It was found that a high shear rate and high turbulence can help homogenize the temperature and the concentration fields and collide and rotate the α-Mg primary phases.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Experimental and Numerical Study of Coating Thickness Using Multi-slot Air Knives

Gas-jet wiping is a widely employed production technology for controlling the final zinc coating thickness on a moving substrate during continuous hot-dip galvanizing. This paper presents an experimental investigation and numerical analysis of a prototype multi-slot air knife, which offers an increase in wiping efficiency relative to the traditional single-slot jet geometry in the continuous galvanizing process. The applicability of the analytical coating weight model of Elsaadawy et al. (Metall Mater Trans B, 38:413-424, 2007) to predict the final coating weight was determined for the multi-slot geometry, where particular focus was devoted to the effect of geometric parameters. Experimental measurements under a variety of knife geometry and process conditions agreed with the coating weight predictions of the analytical model. It was also shown that the air-knife geometric parameters had a significant effect on the pressure profile and shear stress distribution applied by the air knives to the moving substrate. It was determined that the final coating thickness was significantly affected by the auxiliary jet width, D{sub a}, where lighter coating weights at higher strip velocities (up to 5.4 pct at V{sub s} = 1.5 m/s) could be achieved by using the multi-slot air-knives prototype vs. the conventional single-slot configuration.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Numerical Simulation and Experimental Investigation of Nitrogen Transfer Mechanism from Gas to Liquid Steel During Pressurized Electroslag Remelting Process

Since the gas–slag–metal three-phase transfer mechanism of nitrogen is not suitable to account for the nitrogen pickup during pressurized electroslag remelting process, the laboratory experiments have been carried out to study the transfer mechanism of nitrogen using different nitrogen partial pressures and electrode immersion depths. Then, two possible transfer mechanisms of nitrogen have been proposed, and a 2D transient numerical model has been developed to investigate the behavior of nitrogen based on the new proposed mechanisms. The simulated results are compared with the experiment to validate the feasibility of new proposed mechanism. The results show that the nitrogen content in ingot increases with the increasing nitrogen partial pressure and decreasing electrode immersion depth. At the current experimental condition, the electrode immersion depth seems to play a more important role in the nitrogen pickup than the nitrogen partial pressure. Due to the limits of thermodynamic and kinetic conditions, the nitrogen pickup is negligible via the transfer from gas to liquid metal through molten slag whether nitrogen chemically or physically dissolves into slag. The mechanism that nitrogen directly reacts with the partially exposed liquid metal film under the electrode tip due to the fluctuation of gas/slag interface could reasonably account for the experimental results. Furthermore, based on the mechanism, the predicted variation tendency of nitrogen content in ingot is in agreement with the experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Experimental Research on Selective Laser Melting AlSi10Mg Alloys: Process, Densification and Performance

In this work, a set of experiments was designed to investigate the effect of process parameters on the relative density of the AlSi10Mg parts manufactured by SLM. The influence of laser scan speed v, laser power P and hatch space H, which were considered as the dominant parameters, on the powder melting and densification behavior was also studied experimentally. In addition, the laser energy density was introduced to evaluate the combined effect of the above dominant parameters, so as to control the SLM process integrally. As a result, a high relative density (> 97%) was obtained by SLM at an optimized laser energy density of 3.5-5.5 J/mm{sup 2}. Moreover, a parameter–densification map was established to visually select the optimum process parameters for the SLM-processed AlSi10Mg parts with elevated density and required mechanical properties. The results provide an important experimental guidance for obtaining AlSi10Mg components with full density and gradient functional porosity by SLM.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Experimental Study of the Microstructure and Micromechanical Properties of Laser Cladded Ni-based Amorphous Composite Coatings

(Ni{sub 0.6}Fe{sub 0.4}){sub 65}B{sub 18}Si{sub 10}Nb{sub 4}C{sub 3} amorphous composite coating was successfully fabricated on AISI 1045 steel substrate by using laser cladding process with coaxial powder feeding equipment. The microstructure and phase distribution of the coating were investigated by using x-ray diffraction, scanning electron microscopy and transmission electron microscope. The mechanical properties of the coating were examined by using microhardness testing and nanoindentation. The experimental results indicated that the volume fraction of amorphous phase increased with the decrease in laser cladding heat input, leading to an improvement of mean microhardness and nanohardness. NbC particles in a size ranging between 150 and 1650 nm were found embedding in the amorphous composite coatings in all situations. The presence of the NbC particles can contribute to an improvement of 96.7 HV in hardness on the basis of experimental results, while theoretical prediction suggests an improvement of 92.5 HV by using Orowan-Ashby equation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Experimental and Modeling Studies on the Microstructures and Properties of Oxidized Aluminum Nitride Ceramic Substrates

Oxidation of aluminum nitride (AlN) ceramic substrates doped with 2 wt.% Y{sub 2}O{sub 3} was performed in air at temperatures ranging from 1000 to 1300 °C for various lengths of time. Microstructure, bending strength, and thermal conductivity of the oxidized AlN substrates were studied experimentally and also via mathematical models. The results show that the oxide layer formed on the AlN substrates is composed of α-Al{sub 2}O{sub 3} nanocrystallines and interconnected micropores. Longitudinal and transverse cracks are induced in the oxide layer under tensile and shear stresses, respectively. Intergranular oxidation of the AlN grains close to the oxide layer/AlN interface also occurs, leading to widening and cracking of the AlN grain boundaries. These processes result in the monotonous degradation of bending strength and thermal conductivity of the oxidized AlN substrates. Two mathematic models concerning these properties of the oxidized AlN substrates versus the oxide layer thickness were put forward. They fit well with the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Experimental Analysis of the Crushing of Honeycomb Cores Under Compression

This paper presents an experimental study of the compressive response of hexagonal honeycomb core from the initial elastic regime to a fully crushed state. To understand the crushing mechanism, aluminum honeycomb core was compressed quasi-statically between rigid platens under displacement control. Honeycomb test specimens made of aluminum alloy with different configurations such as cell size, cell number, core density, and specimen size have been tested. During the crushing, the cells buckle elastically and collapse at a higher stress due to inelastic action, after the cells crush by progressive formation of folds on cell walls. The response densifies when folds consume the whole panel height. The peak load recorded during tests corresponded to the buckling of honeycomb cells. The different specimens showed similar load/displacement curves, and the differences observed were only due to the influence of the core density, number of cells, and specimens size on mechanical behavior of hexagonal honeycomb core which has a very important role in the energy absorption capacity. In addition, this study allowed us to build a database of experimental tests for various configurations and allowed us to know the precise energy absorption capacity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Experimental Study of the Influence of a Tensile Preload on Thin Woven Composite Laminates Under Impact Loading

In this work, the influence of a tensile preload on the impact behavior of thin woven composite laminates is investigated. These kinds of laminates are usually parts of more complex structures, for example, skins of structural sandwich panels or helicopter blades. These structures are generally subjected to external loads, and can also be impacted in operation. The objective of this study is to identify a correspondence between the preload of the structure and the resulting impact damage. This preliminary work is a first step of a more global study that aims at predicting impact damage in structural composites in order to optimize the design process. Experimental tests are carried out on carbon/epoxy and glass/epoxy mixed thin laminates and on sandwich structures. The samples are loaded uniaxially using a specially designed test rig. The effect of the preload on the impact damage size and shape and the peak load is experimentally quantified and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Experimental and 3D Micromechanical Analysis of Stress–Strain Behavior and Damage Initiation in Dual-Phase Steels

In the recent decade, dual-phase steel has been used extensively in the industry due to its high strength and formability. In this paper, deformation pattern and mechanical behavior of DP steel are predicted using the 2D and 3D representative volume element (RVE) and finite elements method. Also, the obtained results were compared with the experimental SEM images. The experiments are performed in three stages to obtain the stress–strain curve and failure pattern in the specimens with the different state of stress distribution at the test sections. In the 3D state of stress, the state of applied stress to the RVE is obtained from macro-modeling of the test specimens and this model was analyzed using the finite element method. Furthermore, the effects of volume fraction and mesh size in 3D simulation on the stress–strain behavior are investigated. Metallography and SEM images are also used to access the failure mechanism at the microscale. It is shown that the martensite particles remain almost in their original form and their deformations are very small for the specimens with the thickness-to-width ratio of 0.8 (3D state of stress). This phenomenon is completely different from those obtained for smaller thickness-to-width ratio that the martensite particles were pulled and its length was increased. On the other hand, SEM images show that voids are located in the phase boundaries. According to the experimental and numerical results, although the main factor in the formation and growth of 2D voids is shear stress, in the 3D state of stress, the voids grow in spherical form due to the existence of large hydrostatic stresses.

36 MATERIALS SCIENCE↗