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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Transition of creep damage region in dissimilar welds between Inconel 740H Ni-based superalloy and P92 ferritic/martensitic steel

Highlights: • The fresh martensite formed in P92-sided CGHAZ during PWHT due to high Ni content. • Transition from type I to type IV cracking was observed with increasing temperature. • Creep damaged area changed depending on the dominant creep mechanism. • The transition value of Larson-Miller parameter would be within 25,063–26,168. - Abstract: Characterization of microstructures and creep fracture characteristics of dissimilar welds between Ni-based Inconel 740H superalloy and ferritic/martensitic P92 steel has been investigated. The welds were produced by shielded metal arc (SMA) welding process with the AWS A5.11 Class ENiCrFe-3 filler metal, commonly known as Inconel 182 superalloy. Postweld heat treatment (PWHT) at 760 °C for 4 h was conducted to temper the martensite in heat-affected zone (HAZ) of P92 and to form γ′ strengthener in Inconel 740H. The deposited Inconel 182 austenitic weld metal had a columnar microstructure, and grew epitaxially from the Inconel 740H base metal. The weld interface between P92 and weld metal was characterized by the discrete line with a minimal inter-diffusion, where the fresh untempered martensite was found to be formed during PWHT due to higher Ni contents diffused from Inconel 182 into P92. The P92 base metal and Inconel 182 weld metal displayed low hardness values (~240 Hv), and the sharp hardness increase was detected at coarse-grained HAZ of P92 while the hardness minimum occurred at the fine-grained HAZ (FGHAZ). Fracture location after creep was found to shift from the P92-sided fusion line to the FGHAZ of P92 with increasing creep temperature. The carbon migration from the P92 into the weld metal was not significant at lower creep temperature (600 °C), where the crack initiation at the P92-sided fusion line appeared to be related with a significant strain incompatibility across the fusion line. At both 650 °C and 700 °C where diffusion-controlled creep was more pronounced, the type IV cracking was observed. This may be attributed to the strain localization at the weak grain boundaries of FGHAZ due to the smaller grain size as well as the lack of grain boundary strengthening by carbides.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evaluation of Load Behavior for Select Analytes in Hanford Tank Waste

Crystalline silicotitanate (CST) inorganic ion exchanger is a candidate material for remediation of highly alkaline (pH > 14) aqueous nuclear waste streams containing high sodium concentrations (>5 M). In this work, ion exchange column testing with wastes from Hanford tanks AP-105, AP-107, and AW-102 was carried out to study the uptake of 137 Cs to estimate the decontamination factor (DF) value. Additionally, DF values for uptake of Al, Ca, Pb, Np, Pu, U, and Sr were determined and the ion exchange capacity of CST toward these analytes was estimated. Limited data is available on the load behavior of other minor and trace elements with recent CST production lots and this characterization will help improve understanding of the behavior of CST and assist in identifying potential disposition pathways as well as assessing removal capabilities of CST for other components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Isopiestic Determination of the Osmotic Coefficients of NaNO3 + Eu(NO3)3 + H2O at 298.15 K and Representation with an Extended Ion-Interaction (Pitzer) Model

Isopiestic vapor pressures were measured at 298.15 K for aqueous NaNO3 + Eu(NO3)3 solutions, using NaCl(aq) as the reference standard. Measurements were made for both binary (single salt) solutions and for ternary solutions of the following NaNO3 ionic strength fractions: 0.05995, 0.08749, 0.16084, 0.27709, and 0.36313 over the water activity range 0.8951 = aw = 0.9832. (These ionic strength fractions correspond to NaNO3 molality fractions 0.27675, 0.36519, 0.53489, 0.69695, and 0.77381, respectively.) The results, and those of other studies for the two pure aqueous solutions, were used to determine the Pitzer model parameters for aqueous Eu(NO3)3 for molalities up to 3 mol kg–1 and the two ternary (mixture) parameters ?Eu,Na = 0.367 ± 0.0035 and ?Eu,Na,NO3 = -0.0743 ± 0.0014. Some deviations of the measurements from the fitted model, of the order of +0.0075 in the osmotic coefficient, were noted for mixtures containing less than about 1 mol kg–1 total NO3–. The use of the mixture parameters in the Pitzer model yields predicted trace activity coefficients of Eu3+ in 1 mol kg–1 aqueous NaNO3 almost a factor of 2 greater than if they are omitted.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2013

A water activity based model of heterogeneous ice nucleation kinetics for freezing of water and aqueous solution droplets

Immersion freezing of water and aqueous solutions by particles acting as ice nuclei (IN) is a common process of heterogeneous ice nucleation which occurs in many environments, especially in the atmosphere where it results in the glaciation of clouds. Here we experimentally show, using a variety of IN types suspended in various aqueous solutions, that immersion freezing temperatures and kinetics can be described solely by temperature, T , and solution water activity, a w , which is the ratio of the vapour pressure of the solution and the saturation water vapour pressure under the same conditions and, in equilibrium, equivalent to relative humidity (RH). This allows the freezing point and corresponding heterogeneous ice nucleation rate coefficient, J het , to be uniquely expressed by T and a w , a result we term the aw based immersion freezing model (ABIFM). This method is independent of the nature of the solute and accounts for several varying parameters, including cooling rate and IN surface area, while providing a holistic description of immersion freezing and allowing prediction of freezing temperatures, J het , frozen fractions, ice particle production rates and numbers. Our findings are based on experimental freezing data collected for various IN surface areas, A , and cooling rates, r , of droplets variously containing marine biogenic material, two soil humic acids, four mineral dusts, and one organic monolayer acting as IN. For all investigated IN types we demonstrate that droplet freezing temperatures increase as A increases. Similarly, droplet freezing temperatures increase as the cooling rate decreases. The log 10 (J het ) values for the various IN types derived exclusively by T and a w , provide a complete description of the heterogeneous ice nucleation kinetics. Thus, the ABIFM can be applied over the entire range of T , RH, total particulate surface area, and cloud activation timescales typical of atmospheric conditions. Finally, we demonstrate that ABIFM can be used to derive frozen fractions of droplets and ice particle production for atmospheric models of cirrus and mixed phase cloud conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Storage events: distributed users, federation and beyond

For federated storage to work well, some knowledge from each storage system must exist outside that system, regardless of the use case. This is needed to allow coordinated activity; e.g., executing analysis jobs on worker nodes with good accessibility to the data.Currently, this is achieved by clients notifying central services of activity; e.g., a client notifies a replica catalogue after an upload. Unfortunately, this forces end users to use bespoke clients. It also forces clients to wait for asynchronous activities to finish.dCache provides an alternative approach: storage events. In this approach the storage systems (rather than the clients) become the coordinating service, notifying interested parties of key events.At DESY, we are investigating storage events along with Apache OpenWhisk and Kubernetes to build a "serverless" cloud, similar to AWS Lambda or Google Cloud Functions, for photon science use cases.Storage events are more generally useful: catalogues are notified whenever data is uploaded or delete, tape becomes more efficient because analysis can start immediately after the data is on disk, caches can be "smart" fetching new datasets preemptively.In this paper we will present work within dCache to support a new event-based interface, with which these and other use cases become more efficient.

Millar, A.Paul↗
DOE OSTI2025

Using the ATLAS experiment software on heterogeneous resources

With the large dataset expected from 2030 onwards by the HL-LHC at CERN, the ATLAS experiment is reaching the limits of the current data processing model in terms of traditional CPU resources based on x86_64 architectures and an extensive program for software upgrades towards the HL-LHC has been set up. The ARM CPU architecture is becoming a competitive and energy efficient alternative. Accelerators like GPUs are available in any recent HPC. In the past years ATLAS has successfully ported its full data processing and simulation software framework Athena to ARM and has invested significant effort in porting parts of the reconstruction and simulation algorithms to GPUs. We report on the successful usage of the ATLAS experiment offline and online software framework Athena on ARM and GPUs through the PanDA workflow management system at various WLCG sites. Furthermore we report on performance optimizations of the builds for ARM CPUs and the GPU integration efforts. We will discuss performance comparisons of different ARM and x86_64 architectures on WLCG resources and Cloud compute providers like GCP and AWS using ATLAS productions workflows as used in the Hep-Score23 benchmark suite.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Lower hybrid current drive at high density in the multi-pass regime

Assessing the performance of lower hybrid current drive (LHCD) at high density is critical for developing non-inductive current drive systems on future steady-state experiments. Excellent LHCD efficiency has been observed during fully non-inductive operation ({eta}=2.0-2.5 Multiplication-Sign 10{sup 19} AW{sup -1}m{sup -2} at n{sub e}=0.5 Multiplication-Sign 10{sup 20} m{sup -3}) on Alcator C-Mod [I. H. Hutchinson et al., Phys. Plasmas 1, 1511 (1994)] under conditions (n{sub e}, magnetic field and topology, and LHCD frequency) relevant to ITER [S. Shiraiwa et al., Nucl. Fusion 51, 103024 (2011)]. To extend these results to advanced tokamak regimes with higher bootstrap current fractions on C-Mod, it is necessary to increase n{sub e} to 1.0-1.5 Multiplication-Sign 10{sup 20} m{sup -3}. However, the number of current-carrying, non-thermal electrons generated by LHCD drops sharply in diverted configurations at densities that are well below the density limit previously observed on limited tokamaks. In these cases, changes in scrape off layer (SOL) ionization and density profiles are observed during LHCD, indicating that significant power is transferred from the LH waves to the SOL. Fokker-Planck simulations of these discharges utilizing ray tracing and full wave propagation codes indicate that LH waves in the high density, multi-pass absorption regime linger in the plasma edge, and SOL region, where absorption near or outside the LCFS results in the loss of current drive efficiency. Modeling predicts that non-thermal emission increases with stronger single-pass absorption. Experimental data show that increasing T{sub e} in high density LH discharges results in higher non-thermal electron emission, as predicted by the models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Near-infrared photoactive Cu{sub 2}ZnSnS{sub 4} thin films by co-sputtering

The thin films of Cu{sub 2}ZnSnS{sub 4} (CZTS) were grown by co-sputtering further the structural, optical and electrical properties were analyzed and confirmed the CZTS phase formation. The photo response of CZTS in near IR photodectection has been demonstrated. The detector response was measured employing both the IR lamp and IR laser illuminations. The calculated growth and decay constants were 130 m sec and 700 m sec followed by the slower components upon lamp illumination. The external quantum efficiency of 15%, responsivity of 13 AW{sup −1} makes CZTS a suitable candidate for the IR photodectection.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Negative infrared photocurrent response in layered WS{sub 2}/reduced graphene oxide hybrids

We report high performance IR photocurrent response of two-dimensional hybrid materials consisting of layered WS{sub 2} nanosheets and reduced graphene oxide (RGO). Comparative photocurrent response studies of WS{sub 2} nanosheets, RGO, and WS{sub 2}/RGO hybrids were carried out by performing current-voltage (I-V) and time-dependent current measurements with a laser excitation source having a wavelength of 808 nm. The experimental investigations indicate that WS{sub 2}/RGO hybrids show negative photocurrent response, whereas WS{sub 2} and RGO show positive photocurrent response. The negative photocurrent response of the WS{sub 2}/RGO hybrids is explained using a band alignment diagram and attributed to a charge transfer mechanism between WS{sub 2} and RGO. This analysis is further corroborated by first-principles density functional calculations. The fabricated device based on WS{sub 2}/RGO hybrids shows a photosensitivity R{sub λ} of about 6 AW{sup −1} and a quantum efficiency η of ∼924%, which demonstrates high sensitivity of the hybrid material towards IR detection. WS{sub 2}/RGO hybrids are therefore promising candidates for potential applications in optoelectronic circuits and low cost, high performance, and reliable photodetectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The microstructure of aluminum A5083 butt joint by friction stir welding

This study presents the microstructure of the aluminum A5083 butt joint surface after it has been joined by friction stir welding (FSW) process. The FSW process is a unique welding method because it will not change the chemical properties of the welded metals. In this study, MILKO 37 milling machine was modified to run FSW process on 4 mm plate of aluminum A5083 butt joint. For the experiment, variables of travel speed and tool rotational speed based on capability of machine were used to run FSW process. The concentrated heat from the tool to the aluminum plate changes the plate form from solid to plastic state. Two aluminum plates is merged to become one plate during plastic state and return to solid when concentrated heat is gradually further away. After that, the surface and cross section of the welded aluminum were investigated with a microscope by 400 x multiplication zoom. The welding defect in the FSW aluminum was identified. Then, the result was compared to the American Welding Society (AWS) FSW standard to decide whether the plate can be accepted or rejected.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ultrasensitive organic phototransistors with multispectral response based on thin-film/single-crystal bilayer structures

We report on highly efficient organic phototransistors (OPTs) based on thin-film/single-crystal planar bilayer junctions between 5,6,11,12-tetraphenyltetracene (rubrene) and [6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PC{sub 61}BM). The OPTs show good field-effect characteristics in the dark, with high hole-mobility (4–5 cm{sup 2} V{sup −1} s{sup −1}), low-contact resistance (20 kΩ cm), and low-operating voltage (≤5 V). Excellent sensing capabilities allow for light detection in the 400–750 nm range, with photocurrent/dark current ratio as high as 4 × 10{sup 4}, responsivity on the order of 20 AW{sup −1} at 27 μW cm{sup −2}, and an external quantum efficiency of 52 000%. Photocurrent generation is attributed to enhanced electron and hole transfer at the interface between rubrene and PC{sub 61}BM, and fast response times are observed as a consequence of the high-mobility of the interfaces. The optoelectronic properties exhibited in these OPTs outperform those typically provided by a-Si based devices, enabling future applications where multifunctionality in a single-device is sought.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Massively scalable workflows for quantum chemistry: BigChem and ChemCloud

Electronic structure theory, i.e., quantum chemistry, is the fundamental building block for many problems in computational chemistry. Here we present a new distributed computing framework (BigChem), which allows for an efficient solution of many quantum chemistry problems in parallel. BigChem is designed to be easily composable and leverages industry-standard middleware (e.g., Celery, RabbitMQ, and Redis) for distributed approaches to large scale problems. BigChem can harness any collection of worker nodes, including ones on cloud providers (such as AWS or Azure), local clusters, or supercomputer centers (and any mixture of these). BigChem builds upon MolSSI packages, such as QCEngine to standardize the operation of numerous computational chemistry programs, demonstrated here with Psi4, xtb, geomeTRIC, and TeraChem. BigChem delivers full utilization of compute resources at scale, offers a programable canvas for designing sophisticated quantum chemistry workflows, and is fault tolerant to node failures and network disruptions. We demonstrate linear scalability of BigChem running computational chemistry workloads on up to 125 GPUs. Finally, we present ChemCloud, a web API to BigChem and successor to TeraChem Cloud. ChemCloud delivers scalable and secure access to BigChem over the Internet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Elemental characterization of crystalline silicotitanate following Hanford tank waste processing

To expedite vitrification of low activity waste at the Hanford Site, a Tank-Side Cesium Removal system is being evaluated. This method utilizes an inorganic ion exchange (IX) media, crystalline silicotitanate (CST), to remove 99.9% of the 137Cs from tank waste supernate. Laboratory scale testing of the ion exchange process has been conducted by Pacific Northwest National Laboratory to evaluate Cs removal with CST in supernates collected from Hanford tanks 241-AP-107 and 241-AW-102 under prototypic plant operating conditions. In an effort to understand the selectivity and partitioning of other analytes toward CST, specifically Resource Conservation and Recovery Act (RCRA) hazardous metals, selected +2 cations, and transuranic elements, a method for the complete dissolution of CST and Cs removal from the digestate was applied to the spent CST post-processing Hanford tank waste. The CST was shown to adsorb a relevant fraction of Ca, Cd, Pb, Sr, and potentially Fe by IX and/or other mechanisms. The spent CST also adsorbed actinides, including U, Pu, Np, and Am. This work discusses digestion of CST and removal of Cs from the digestate allowing effective analysis and provides insight as to what analytes may be competing for IX sites on the CST media.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Impact of feed variability on cesium removal with multiple actual waste samples from the Hanford site

Here, the Tank Side Cesium Removal (TSCR) system, under development by Washington River Protection Solutions (WRPS), will send initial low-activity Hanford waste tank supernate feeds to the Hanford Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Facility. In addition to entrained solids removal from the supernate, the primary goal of TSCR is to remove cesium-137 ( 137 Cs) by ion exchange, allowing contact handling of the liquid effluent product at WTP. Crystalline silicotitanate (CST) ion exchange media, manufactured by Honeywell UOP (product IONSIV™ R9140-B), was selected as the ion exchange media at TSCR. This lot of material was found to have superior performance in comparison to historic batches of CST. Ion exchange column and batch contact testing with supernate from Hanford tanks AP-105, AP-107 and AW-102 was performed to assess the impact of feed variability on system performance. These tests demonstrated that batch contact measurements provide a reasonable prediction of column capacities with some deviation in performance attributed to column dynamics. In addition, the variability in CST capacity for cesium in the various actual waste samples does not track with historical understanding of the competing cations, suggesting that tank waste samples contain other components that may significantly impact cesium loading.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Balancing Needs Assessment Using Advanced Probabilistic Forecasts

This paper presents a comprehensive approach to predict Balancing Authority (BA) regulation and load following requirements in order to improve BA control performance. In this paper the Pacific Northwest National Laboratory’s (PNNL) “ramp and uncertainty prediction tool (RUT) and day-ahead regulation prediction (DARP) tool” were upgraded to incorporate advanced probabilistic forecast information provided by AWS Truepower. The proposed methodology has been tested and validated using actual California Independent System Operator (CAISO) data. Simulation confirmed that integration probabilistic forecast information can reduce the predicted regulation range by about 12-31%. This means that BAs can procure fewer balancing resources without compromising their reliability and control performance requirements.

Regulation, Solar Generation, Wind Generation, Con↗
DOE OSTI2019

Performance Analysis of Deep Learning Workloads on Leading-edge Systems

This work examines the performance of leading-edge systems designed for machine learning computing, including the NVIDIA DGX-2, Amazon Web Services (AWS) P3, IBM Power System Accelerated Compute Server AC922, and a consumer-grade Exxact TensorEX TS4 GPU server. Representative deep learning workloads from the fields of computer vision and natural language processing are the focus of the analysis. Performance analysis is performed along with a number of important dimensions. Performance of the communication interconnects and large and high-throughput deep learning models are considered. Different potential use models for the systems as standalone and in the cloud also are examined. The effect of various optimization of the deep learning models and system configurations is included in the analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Open Source Synergy: Developing and Validating PMU Data Analysis Techniques Using Open Source Tools and Datasets

This paper presents an exploration into the development and validation of data analysis approaches for Phasor Measurement Units (PMUs) using open-source datasets and tools. Various methods for event detection, event classification, frequency response, and oscillation analysis were tested. We leverage the capabilities of Archive Walker (AW), the Frequency Response Analysis Tool (FRAT), and the Oscillation Baselining and Analysis Tool (OBAT), all open-source tools, for efficient processing and analysis of synchrophasor data. The open-source Transmission Signature Library (TSL) dataset was employed as a dataset for a comprehensive evaluation to assess the performance and reliability of the proposed methods.

PMU, event analysis, oscillation, Frequency Respon↗
DOE OSTI2022

Elastic Resource Management for Deep Learning Applications in a Container Cluster

The increasing demand for learning from massive datasets is restructuring our economy. Effective learning, however, involves nontrivial computing resources. Most businesses utilize commercial infrastructure providers (e.g., AWS) to host their computing clusters in the cloud, where various jobs compete for available resources. While cloud resource management is a fruitful research field that has made many advances in production, such as Kubernetes and YARN, few efforts have been invested to further optimize the system performance, especially for deep learning (DL) training jobs in a container cluster. This work introduces FlowCon, a system that is able to monitor the individual evaluation functions of DL jobs at runtime, and thus to make placement decisions on resource allocations elastically. Here, we present a detailed design and implementation of FlowCon and conduct intensive experiments over various DL models. The results demonstrate that FlowCon significantly improves DL job completion time and resource utilization efficiency, compared to default systems. According to the results, FlowCon is able to improve the completion time by up to 68.8% and meanwhile, reduce the makespan by 18.0%, in the presence of various DL job workloads.

97 MATHEMATICS AND COMPUTING↗