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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Investigation of dynamics of nematicons in liquid crystals by extended sinh-Gordon equation expansion method

This paper secures new nematicons in liquid crystals from its governing equation by extended sinh-Gordon equation expansion method with the aid of symbolic computational package Maple. The two laws of nonlinearity, namely Kerr and parabolic laws are studied. As outcomes, some new explicit complex hyperbolic and complex trigonometric function solutions are derived regarding dark, bright, combined dark–bright, singular, combined singular optical, periodic wave, dipole soliton solutions and others. To show the real physical meaning of the derived results, three dimensional graphs with contours and two dimensional graphs are prepared under the choice of proper values of the arbitrary parameters. The derived solutions have been checked back into their corresponding equations with the symbolic computational package Maple. All the combined solutions are found to be new, which may play an important role in the context of liquid crystals. The applied method is found to provide a powerful tool for extracting exact solitary wave solutions and overcome the difficulties of the solitary wave ansatz method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Energy of a Two-Dimensional Helium Atom in an Excited State

Using perturbation theory methods and a variational method, we have calculated the energy of a twodimensional helium atom in its lower excited states, this energy showing itself to be practically independent of the specific characteristics of these excited states; this, together with the known value of the energy in the ground state, found earlier by one of the authors, presents the fundamental possibility of determining the frequencies of the main spectral lines of such an atom, which can be checked experimentally.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Formal verification and validation of run-to-completion style state charts using Event-B

State chart notations with ‘run to completion’ semantics are popular with engineers for designing controllers that react to environment events with a sequence of state transitions but lack formal refinement and rigorous verification methods. State chart models are typically used to design complex control systems that respond to environmental triggers with a sequential process. The model is usually constructed at a concrete level and verified and validated using animation techniques relying on human judgement. Event-B, on the other hand, is based on refinement from an initial abstraction and is designed to make formal verification by automatic theorem provers feasible. Abstraction and formal verification provide greater assurance that critical (e.g. safety or security) properties are not violated by the control system. In this paper, we introduce a notion of refinement into a ‘run to completion’ state chart modelling notation and leverage Event-B’s tool support for theorem proving. We describe the difficulties in translating ‘run to completion’ semantics into Event-B refinements and suggest a solution. We illustrate our approach and show how models can be validated at different refinement levels using our scenario checker animation tools. We show how critical invariant properties can be verified by proof despite the reactive nature of the system and how behavioural aspects of the system can be verified by testing the expected reactions using a temporal logic, model checking approach. To verify liveness, we outline a proof that the run to completion is deadlock-free and converges to complete the run.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Fluid Flow, Dissolution, and Mixing Phenomena in Argon-Stirred Steel Ladles

In the current study, the multiphase fluid flow in argon-stirred steel ladles is simulated using an Eulerian–Lagrangian two-phase approach. The momentum source and the turbulent kinetic energy source due to the motion of the bubble are considered for the liquid phase. Argon bubbles are treated as discrete phase particles, and the interfacial forces between the bubbles and the liquid phase; the dependence of the gas density and the bubble diameter on the temperature and the static pressure; and the bubble size distribution are considered. When the fluid flow reaches the quasi-steady state, the ferroalloy melting and mixing phenomena is also modeled. The melting time and the trajectory length of each ferroalloy particle are recorded using a user-defined function (UDF). Local mixing time is predicted in the entire computational domain by checking the mixing criteria in every cell. The effects of gas flow rate, porous plug location, and separation angle of two porous plugs on the fluid flow and the mixing phenomena are investigated. The results show that the flow intensity increases, and the mixing time decreases with the increasing gas flow rate. The optimal porous plug’s radial position with one porous plug is 0.50R for its best mixing condition. When two porous plugs are adopted, the separation angle of 90 deg is recommended to improve the flow field and mixing phenomena.

42 ENGINEERING↗
DOE OSTI2019

Iron Ore Reduction by Hydrogen Using a Laboratory Scale Fluidized Bed Reactor: Kinetic Investigation—Experimental Setup and Method for Determination

The reduction kinetics of hematite iron ore fines to metallic iron by hydrogen using a laboratory fluidized bed reactor were investigated in a temperature range between 873 K and 1073 K, by measuring the weight change of the sample portion during reduction. The fluidization conditions were checked regarding plausibility within the Grace diagram and the measured pressure drop across the material during experiments. The apparent activation energy of the reduction was determined against the degree of reduction and varied along an estimated two-peak curve between 11 and 55 kJ mol{sup −1}. Conventional kinetic analysis for the reduction of FeO to metallic iron, using typical models to describe gas–solid reactions, does not show results with high accuracy. Multistep kinetic analysis, using the Johnson–Mehl–Avrami model, shows that the initial stage of reduction from Fe{sub 2}O{sub 3} to Fe{sub 3}O{sub 4}, and partly to FeO, is controlled by diffusion and chemical reaction, depending on the temperature. Further reduction can be described by a combination of nucleation and chemical reaction, whereby the influence of nucleation increases with an increasing reduction temperature. The results of the kinetical analysis were linked to the shape of the curve from apparent activation energy against the degree of reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Kinetics of the Carbothermic Reduction of Manganese Oxide from Slag

Experiments were performed using a range of test conditions to elucidate the rate controlling step during the reaction of liquid iron-carbon droplets and slags containing manganese oxide. Four conditions were tested in the system: initial MnO content in the slag (5, 10, and 15 wt pct), initial carbon content of the metal (1, 2.5, 4.3 wt pct), initial droplet mass (0.5, 1.0, and 1.5 g), and reaction temperature (1823 K [1550 °C], 1873 K [1600 °C], and 1923 K [1650 °C]). Data were collected using the Constant Volume Pressure Increase (CVPI) technique which tracked the continuous pressure increase in the sealed furnace over time. Samples were quenched at the end of each experiment and chemistry was checked using LECO Carbon Analysis and ICP (Inductively Coupled Plasma) for manganese. The rate of reaction can be broken into a faster initial period related to internal CO formation, and a slower second reaction controlled by a complex mechanism involving transport of oxygen from slag to metal via CO{sub 2} and decomposition of the CO{sub 2} at the gas–metal interface.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Determination of Thermoelectric Module Efficiency A Survey

The development of thermoelectrics (TE) for energy conversion is in the transition phase from laboratory research to device development. There is an increasing demand to accurately determine the module efficiency, especially for the power generation mode. For many thermoelectrics, the figure of merit, ZT, of the material sometimes cannot be fully realized at the device level. Reliable efficiency testing of thermoelectric modules is important to assess the device ZT and provide the end-users with realistic values on how much power can be generated under specific conditions. We conducted a general survey of efficiency testing devices and their performance. The results indicated the lack of industry standards and test procedures. This study included a commercial test system and several laboratory systems. Most systems are based on the heat flow meter method and some are based on the Harman method. They are usually reproducible in evaluating thermoelectric modules. However, cross-checking among different systems often showed large errors that are likely caused by unaccounted heat loss and thermal resistance. Efficiency testing is an important area for the thermoelectric community to focus on. A follow-up international standardization effort is planned.

efficiency↗
DOE OSTI2017

A Simplified Micromechanical Modeling Approach to Predict the Tensile Flow Curve Behavior of Dual-Phase Steels

Micromechanical modeling is used to predict material’s tensile flow curve behavior based on microstructural characteristics. This research develops a simplified micromechanical modeling approach for predicting flow curve behavior of dual-phase steels. The existing literature reports on two broad approaches for determining tensile flow curve of these steels. The modeling approach developed in this work attempts to overcome specific limitations of the existing two approaches. This approach combines dislocation-based strain-hardening method with rule of mixtures. In the first step of modeling, ‘dislocation-based strain-hardening method’ was employed to predict tensile behavior of individual phases of ferrite and martensite. In the second step, the individual flow curves were combined using ‘rule of mixtures,’ to obtain the composite dual-phase flow behavior. To check accuracy of proposed model, four distinct dual-phase microstructures comprising of different ferrite grain size, martensite fraction, and carbon content in martensite were processed by annealing experiments. The true stress–strain curves for various microstructures were predicted with the newly developed micromechanical model. The results of micromechanical model matched closely with those of actual tensile tests. Thus, this micromechanical modeling approach can be used to predict and optimize the tensile flow behavior of dual-phase steels.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multiaxial Fatigue Life Prediction Based on Nonlinear Continuum Damage Mechanics and Critical Plane Method

A new multiaxial fatigue life prediction model has been proposed in this paper. The concepts of nonlinear continuum damage mechanics and critical plane criteria were incorporated in the proposed model. The shear strain-based damage control parameter was chosen to account for multiaxial fatigue damage under constant amplitude loading. Fatigue tests were conducted on nickel-based superalloy GH4169 tubular specimens at the temperature of 400 °C under proportional and nonproportional loading. The proposed method was checked against the multiaxial fatigue test data of GH4169. Most of prediction results are within a factor of two scatter band of the test results.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of Multiple Rejuvenation Cycles on Mechanical Properties and Microstructure of IN-738 Superalloy

The scope of this work is to show the effects of multiple applications of a rejuvenation treatment studied for IN-738 on both the microstructure and the mechanical properties of the creep-damaged superalloy and to check the recovery obtained after one and two rejuvenation cycles through creep and tensile tests, whose results will be compared with the performance of the virgin material. This work will show that this rejuvenation treatment is able to recover the microstructure of creep-damaged specimens after one and two applications and that the mechanical properties of the rejuvenated alloy are very similar to the virgin material even after two rejuvenation cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Process Parameter Optimization in Refill Friction Spot Welding of 6061 Aluminum Alloys Using Response Surface Methodology

6061-T6 aluminum alloy joint was fabricated by refill friction stir spot welding (RFSSW) on which three process parameters of tool rotation speed, sleeve moving rate, and plunge depth make an important effect. The response surface methodology (RSM) was applied to establish a mathematical model to study the effect of process parameters on lap shear fracture load (LSFL) of the RFSSWed joints which were performed in Box–Behnken designs with three factors, three levels and 15 runs. Analysis of variance used to check the adequacy of the developed model indicates that the mathematical model is significant. LSFL increases with the increase in tool rotation speed, sleeve plunge depth, and sleeve moving rate to maximum and then decreases. Sleeve plunge depth makes the most effect on LSFL in all process parameters. The RFSSW process parameters were also optimized using RSM to predict maximize LSFL. The joint produced using a tool rotational speed of 1506 rpm, sleeve moving rate of 1.01 mm/s and sleeve plunge depth of 2.46 mm displays higher LSFL.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Thermal Wear Sensing System: Proof of the Concept

A technique for wear sensing using a sacrificial layer with specific material properties has been developed successfully. This is achieved by recording the temperature evolution underneath the sacrificial organic layer during sliding tests, and by correlating the recorded temperature with a wear depth. Finite element modeling was used to calculate the contact temperature which spreads through the sacrificial layer under different sliding test conditions. Numerical simulation was used to determine the optimal parameters for the best correlation between temperature and wear depth. These parameters were used to select the appropriate sacrificial layer for wear sensing. Thus, an epoxy layer was implemented and experimental measurements were carried out to check the correlation between the measured temperature underneath the epoxy layer and wear depth. It was found that a low thermal conductivity of the sacrificial layer of less than 1 W/m K and a relative high thermal conductivity of the substrate, namely more than 4 W/m K are the optimal parameters for our thermal wear sensing system. The thickness of the sacrificial layer is also a crucial parameter and has to be taken into account when designing such a sensing system.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Constitutive Modeling for Hot Deformation Behavior of Al-5083 + SiC Composite

In the present research, isothermal hot deformation behavior of aluminum 5083 alloy + 15 (wt.%) SiC composite was obtained through compression test on INSTRON 8801 universal tensile testing machine (UTM) under a wide temperature range of 473-773 K and strain rate range of 0.01-10 s{sup −1}. The experimental true stress–strain data were employed to establish constitutive equations based on modified Johnson–Cook (JC) model and modified Zerilli–Armstrong (ZA) model to predict the hot flow behavior of the composite. The flow stress values obtained from these two models were plotted against the experimental flow curves to check the accuracy of these models. Suitability of the models was evaluated by comparing correlation coefficient (R), average absolute relative error and relative errors of prediction. The results show that the hot flow stresses of the present material depend on temperature and strain rate significantly. Both the models give good description of the hot deformation behavior of the composite. The prediction accuracy is found to be higher for modified ZA model compared to modified JC model, though the number of materials constants involved and time needed to evaluate them to establish the model are lower for modified JC model.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Amino Acids as Additives against Amorphous Aggregation: In Vitro and In Silico Study on Human Lysozyme

The effect of 16 amino acids (AA) with various physicochemical properties was investigated on human lysozyme (HL) heat-induced amorphous aggregation. UV-Visible spectrophotometry was used to monitor the kinetics of aggregation in the absence and presence of AA, and transmission electron microscopy (TEM) images were taken from the aggregates. To conduct in silico experiments, Autodock vina was used for docking of AA into protein (via YASARA interface), and FTmap information was checked for an insight onto putative binding sites. Prediction of aggregation-prone regions of lysozyme was made by AGGRESCAN and Tango. Among all tested AA, phenylalanine had the best anti-aggregation effect, followed by lysine. In addition, based on in silico tests, Trp 109 and Val 110 of lysozyme are suggested to be of importance in the aggregation process of the enzyme. In conclusion, phenylalanine, arginine, and lysine were found to affect the nucleation phase of lysozyme aggregation and could be considered as suitable stabilizing structures for this enzyme.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

The timing of docetaxel initiation in metastatic castrate-sensitive prostate cancer and the rate of chemotherapy-induced toxicity

Docetaxel pharmacokinetics are affected by androgen deprivation therapy (ADT), which is attributed to changes in liver metabolism induced by castration. In this retrospective analysis, we assessed whether initiating docetaxel treatment in close proximity to the start of ADT therapy for metastatic castrate-sensitive prostate cancer (mCSPC) is associated with more treatment-related toxicity. We identified all patients with mCSPC treated at The Ottawa Hospital that received docetaxel chemotherapy between June 2014 and September 2017. For each patient, we calculated the time to chemotherapy (TTC) interval between the start of ADT and the first cycle of docetaxel. We checked for an association between TTC and febrile neutropenia (FN), toxicity-induced dose reduction, toxicity-induced treatment delay, and toxicity-induced treatment discontinuation. Eighty-three patients were identified. The median TTC was 67 days (range 3–189). Twenty-three patients (27.7%) experienced FN. Docetaxel toxicity resulted in 8 patients (9.6%) having their treatment delayed, 30 patients (36.1%) having their dose reduced and 18 (21.6%) having their treatment discontinued before completing the scheduled 6 cycles. No correlation was found between the TTC and FN (P = 0.99), docetaxel dose reduction (P = 0.95), treatment delay (P = 0.06), and treatment discontinuation (P = 0.88). The timing of docetaxel treatment initiation in relation to ADT initiation in patients with mCSPC did not affect the rate of treatment-related toxicity. Therefore, there is no indication for upfront chemotherapy delay from start of ADT unless clinical factors warrant a delay in starting chemotherapy. A higher than expected FN rate was identified, and primary prophylaxis should be considered.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Enabling modern data discovery for atmospheric measurements

The Atmospheric Radiation Measurement (ARM) user facility is a US Department of Energy Office of Science user facility that is managed and operated through a collaborative effort led by nine US Department of Energy national laboratories. The ARM Data Center, located at Oak Ridge National Laboratory, is responsible for the timely collection, processing, and delivery of data products to the scientific community. The ARM Data Center holds more than 11,000 data products, including metadata collected from field campaigns, instruments, value-added products, and principal investigator–contributed data. These data sets are checked for successful transfer (for most data, this transfer is carried out automatically via the network; however, some of the largest data sets and some of the most remote sites require manual shipping of hard disks) and both the data and metadata are processed to a standard format, which is an ARM-standardized structure, via the Network Common Data Form. The Network Common Data Form is a self-describing binary format with many compatible software tools. Once processed, the data are cataloged, stored in the ARM Data Archive, and made discoverable through association with an array of metadata-characterizing information, such as location and measurement classification. These metadata enable powerful search capabilities through the ARM Data Center Data Discovery interface. This paper discusses the workflow of how the new discovery system has been redesigned from user requirements and how the data are distributed to the scientific community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Biomass Quality Responses to Selection for Increased Biomass Yield in Perennial Energy Grasses

Perennial grasses are candidates for biomass cropping systems that are focused on providing a wide range of ecosystem services in addition to sustainable bioenergy production. Switchgrass (Panicum virgatum L.) and big bluestem (Andropogon gerardii Vitman) are two of the dominant grasses of the tallgrass prairie and both are candidates for development of multifunctional diverse production systems. Breeding programs for both species are aimed at increasing biomass yield as a mechanism of improving economic sustainability without increasing production costs. The objective of this study was to determine if long-term selection for increased biomass yield in these two species has had any adverse impacts on biomass quality, or the ability to convert biomass into bioenergy. Check cultivars and improved breeding populations of both species were evaluated for a wide range of biomass quality traits at 13 locations in the North Central and Northeastern USA, and a subset of these populations were also subjected to more intensive and detailed fermentation analyses. In general, lignin and ferulates either remained constant or decreased following selection for increased biomass yield in the various genetic pedigrees. These changes resulted in some increases in predicted ethanol production and in vitro digestibility. Here, the prediction of increased digestibility was confirmed by higher glucose release by pretreatment and deconstruction of an advanced lowland population. However, bioreactor fermentations with two different biofuel-producing microbes showed no differences in ethanol production. Overall, these studies indicated that the improved switchgrass and big bluestem populations had greater biomass yields without significantly reducing biomass quality or conversion efficiency into ethanol, suggesting that selection can achieve increases in biomass productivity while maintaining consistent biomass quality.

09 BIOMASS FUELS↗
DOE OSTI2019

How to detect and correct myocardial creep in myocardial perfusion imaging using Rubidium-82 PET?

Reliability of myocardial blood flow (MBF) quantification in myocardial perfusion imaging (MPI) using PET can majorly be affected by the occurrence of myocardial creep when using pharmacologically induced stress. In this paper, we provide instructions on how to detect and correct for myocardial creep. For example, in each time frame of the PET images the myocardium contour and the observed activity have to be compared to check for misalignments. In addition, we provide an overview of the functionality of commonly used software packages to perform this quality control step as not all software packages currently provide this functionality. Furthermore, important clinical considerations to obtain accurate MBF measurements are given.

62 RADIOLOGY AND NUCLEAR MEDICINE↗