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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Crystalline Silicotitanate (CST) Ion Exchange Media Performance Evaluations to Support TSCR DSA IX Media Equilibrium Contacts

The primary objective of this work is to calculate the maximum loading expected on the Hanford Tank Side Cesium Removal (TSCR) ion exchange columns. A key consideration in the design of the columns is the amount of 137 Cs that loads onto the Crystalline Silicotitanate (CST) and the heat generated by the loaded column during storage. Per request of Washington River Protection Solutions (WRPS), Savannah River National Laboratory (SRNL) has utilized ZAM, a computer program developed by the research group of Professor Rayford G. Anthony of Texas A&M University, to predict the cesium loading on the CST for a variety of waste compositions expected to be processed by TSCR. The study evaluated cesium loadings for the following waste compositions: 1. Seventeen DFLAW campaign batches to cover projected supernate composition ranges within which TSCR may be expected to operate within the first ten years, 2. Hanford tank AP-105 and AP-107 waste solutions that will be processed by the TSCR system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Thermal-hydraulic analyses of MIT reactor LEU transition cycles

The Massachusetts Institute of Technology Reactor (MITR) is a research reactor in Cambridge, Massachusetts designed primarily for experiments using neutron beam and in-core irradiation facilities. In the framework of non-proliferation policy, research and test reactors have started a program to convert highly enriched uranium (HEU) fuel to low-enriched uranium (LEU) fuel. A new type of LEU fuel based on a high-density alloy of uranium and molybdenum (U-10Mo) is expected to allow conversion. A transition core plan, from 22 fresh LEU fuel elements to 24 in an equilibrium state, is proposed. This study evaluates the thermal-hydraulic safety margins of each transition cycle and state (i.e. beginning, middle and end). The STAT7 and RELAP5 codes are used in the study. STAT7 provides an integrated platform for statistical propagation of uncertainties in determining steady-state thermal-hydraulic margins. A RELAP5 model was created to verify MITR's STAT7 model, and provide transient analyses. The steady-state analyses determined that, during the entire transition from a fresh to equilibrium core, the Limiting System Safety Settings (LSSS) has a 10.2% margin to the minimum power at which onset of nucleate boiling (ONB) is precluded at 3σ confidence. The loss of flow (LOF) transient, which is the most limiting anticipated transient for the MITR, was simulated. With a conservative initial state of the reactor (operating at μ + 3σ power level and LSSS mass flow rate), the maximum calculated centerline fuel temperature was 115 degrees C, which is a significantly lower value than the blistering limit of 350 degrees C. The cladding wall temperatures did not exceed the ONB temperature throughout the transient. Therefore, during LOF, no nucleate boiling is expected, precluding any critical heat flux trigger. Overall, this study indicates that the proposed LEU transition core specifications have significant margin to thermal-hydraulic limits, during steady-state operation and the LOF transient.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Atmospheric CO 2 estimates for the Miocene to Pleistocene based on foraminiferal $δ^{11}$B at Ocean Drilling Program Sites 806 and 807 in the Western Equatorial Pacific

Constraints on the evolution of atmospheric CO 2 levels throughout Earth's history are foundational to our understanding of past variations in climate. Despite considerable effort, records vary in their temporal and spatial coverage and estimates of past CO 2 levels do not always converge, and therefore new records and proxies are valuable. Here we reconstruct atmospheric CO 2 values across major climate transitions over the past 16 million years using the boron isotopic composition (δ 11 B) of planktic foraminifera from 89 samples obtained from two sites in the West Pacific Warm Pool, Ocean Drilling Program (ODP) Sites 806 and 807, measured using high-precision multi-collector inductively coupled plasma mass spectrometry. We compare our results to published data from ODP Site 872, also in the Western Equatorial Pacific, that goes back to 22 million years ago. These sites are in a region that today is near equilibrium with the atmosphere and are thought to have been in equilibrium with the atmosphere for the interval studied. We show that δ 11 B data from this region are consistent with other boron-based studies. The data show evidence for elevated pCO 2 during the Middle Miocene and Early to Middle Pliocene, and reductions in pCO 2 of ~200 ppm during the Middle Miocene Climate Transition, ~250 ppm during Pliocene Glacial Intensification and ~50 ppm during the Mid-Pleistocene Climate Transition. During the Mid-Pleistocene Transition there is a minimum pCO 2 at marine isotopic stage (MIS) 30. Our results are consistent with a coupling between pCO 2 , temperature and ice sheet expansion from the Miocene to the late Quaternary.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

The CCONE Code System and its Application to Nuclear Data Evaluation for Fission and Other Reactions

A computer code system, CCONE, was developed for nuclear data evaluation within the JENDL project. The CCONE code system integrates various nuclear reaction models needed to describe nucleon, light charged nuclei up to alpha-particle and photon induced reactions. The code is written in the C++ programming language using an object-oriented technology. At first, it was applied to neutron-induced reaction data on actinides, which were compiled into JENDL Actinide File 2008 and JENDL-4.0. It has been extensively used in various nuclear data evaluations for both actinide and non-actinide nuclei. The CCONE code has been upgraded to nuclear data evaluation at higher incident energies for neutron-, proton-, and photon-induced reactions. It was also used for estimating β-delayed neutron emission. This paper describes the CCONE code system indicating the concept and design of coding and inputs. Details of the formulation for modelings of the direct, pre-equilibrium and compound reactions are presented. Applications to the nuclear data evaluations such as neutron-induced reactions on actinides and medium-heavy nuclei, high-energy nucleon-induced reactions, photonuclear reaction and β-delayed neutron emission are mentioned.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Ultrafast Absorption Spectroscopy of Aluminum Plasmas Created by LCLS using Betatron X-Ray Radiation

This document summarizes the goals and accomplishments of a six month-long LDRD project, awarded through the LLNL director Early and Mid Career Recognition (EMCR) program. This project allowed us to support beamtime awarded at the Matter under Extreme Conditions (MEC) end station of the Linac Coherent Light Source (LCLS). The goal of the experiment was to heat metallic samples with the bright x-rays from the LCLS free electron laser. Then, we studied how they relaxed back to equilibrium by probing them with ultrafast x-ray absorption spectroscopy using laser-based betatron radiation. Our work enabled large collaborations between LLNL, SLAC, LBNL, and institutions in France and in the UK, while providing training to undergraduate and graduate students during the experiment. Following this LDRD project, the PI was awarded a 5-year DOE early career research grant to further develop applications of laser-driven x-ray sources for high energy density science experiments and warm dense matter states.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Phosphoproteome Response to Dithiothreitol Reveals Unique Versus Shared Features of Saccharomyces cerevisiae Stress Responses

To cope with sudden changes in the external environment, the budding yeast Saccharomyces cerevisiae orchestrates a multifaceted response that spans many levels of physiology. Several studies have interrogated the transcriptome response to endoplasmic reticulum (ER) stress and the role of regulators such as the Ire1 kinase and Hac1 transcription factors. However, less is known about responses to ER stress at other levels of physiology. Here, we used quantitative phosphoproteomics and computational network inference to uncover the yeast phosphoproteome response to the reducing agent dithiothreitol (DTT) and the upstream signaling network that controls it. We profiled wild-type cells and mutants lacking IRE1 or MAPK kinases MKK1 and MKK2, before and at various times after DTT treatment. In addition to revealing downstream targets of these kinases, our inference approach predicted new regulators in the DTT response, including cell-cycle regulator Cdc28 and osmotic-response kinase Rck2, which we validated computationally. Our results also revealed similarities and surprising differences in responses to different stress conditions, especially in the response of protein kinase A targets. Furthermore, these results have implications for the breadth of signaling programs that can give rise to common stress response signatures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Heavy quarkonium suppression in a fireball

The dissociation of heavy quarkonium seen in heavy-ion collisions is a phenomena that allows to extract information of the produced thermal medium. This was believed to be due to the screening of the static potential but recently perturbative computations and some lattice studies have pointed out the possibility of having an imaginary part of the potential that would also contribute to dissociation. In recent years a program to study heavy quarkonium with the use of non-relativistic effective field theories (EFTs) has been started, this allows to make the computations in a more systematic way by defining a more suitable power counting and making it more difficult to miss necessary resummations. However until now these studies have been done assuming thermal equilibrium. In this work we will discuss what happens in the EFT formalism when heavy quarkonium is in a medium that is not in thermal equilibrium and what is the expected suppression when a medium with a time dependent effective temperature that follows Bjorken evolution is considered. This will be done adapting previous results from different temperature regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Characteristics of Ultralow Aspect Ratio Toroidal Plasmas and Non-Solenoidal Startup and Edge Stability Studies at Near-Unity Aspect Ratio (Final Report)

This grant supported a long-term research and development program to explore the physics and technology of spherical tokamak (ST) plasma behavior at near-unity aspect ratio ( A ). The PEGASUS Toroidal Experiment is a university-scale ( R ) ~ 0.40 m, α ~ .35 m, I p ≤ 0.3 MA, B T ≤ 0.15 T) experiment that accesses A → 1, to provide large values of the normalized plasma current, I N = I p /α B T , or equivalently the toroidal field utilization factor I p / I TF . The research activities focused on: 1) developing the technique of Local Helicity Injection (LHI) as a viable means of initiating and growing an ST plasma without the use of a central solenoid; 2) exploring the equilibrium and stability properties of spherical tokamak plasmas at extremely low aspect ratio; and 3) obtaining new insights in the properties of the enhanced confinement H-mode regime at A ~ 1. The initial (Phase I) facility employed a unique high-stress central solenoid Ohmic for current drive and heating with simple magnet current waveforms. A subsequent major upgrade (Phase II) offered more flexible control of the plasma evolution along with a powerful LHI system for plasma initiation, heating and sustainment. The LHI technique consists of injection of high-density current streams into vacuum toroidal and vertical magnetic fields. These streams become unstable and support magnetic reconnection to allow the system to relax into a tokamak-like magnetic configuration. This program focused on: 1) development of electron current sources that provide sufficiently high injection currents in the challenging edge plasma region; 2) validation of theoretical limits to achievable I p arising from magnetic helicity and energy conservation plus absolute limits arising from relaxation to a minimal energy states; 3) tests of a power balance model to describe the evolution of the plasma current I p (t); and 4) study of magnetic fluctuations and their role in the I p evolution. This culminated in the production of toroidal currents of I p ≥ 0.2 MA with only ~8 kA of injected current. Operation with Ohmic induction alone in Phase I created plasmas with soft limits on the achievable I p and field utilization ( I p / I TF ~ 1) due to the onset of large low-order (2/1 or 3/2) internal resonant tearing modes. With the expanded capabilities in Phase II operation, methods employed to mitigate those modes and achieve I p / I TF > 1 were: 1) I TF ramp-downs; 2) non-solenoidal startup via LHI; and 3) extremely low I TF Ohmic operations assisted by LHI current injector pre-ionization. Extensive use of LHI-driven startup and drive for non-solenoidal operation produced favorable current profiles to stably operate tokamak plasmas with unprecedentedly high I N = I p / aB T ~ 15 and I p / I TF > 2. With strong reconnection-driven anomalous ion heating, this in turn provided access to tokamak plasmas with B t up to 100%, a world record 2 times higher than that previously achieved in advanced or spherical tokamaks. This high B t regime had a large fraction (~50%) of the plasma volume in a region of an absolute minimum- B configuration. The MHD stability limit in this regime was the ideal external kink mode without a stabilizing wall. These results provided the first demonstration of access to tokamak plasmas with very high B t , high i N , high elongation κ, and low internal inductance ℓ i , and as such served as a proof-ofprinciple for access to this long-sought ST regime. The naturally low B T needed for stability at A ≤ 1.2 reduces the L-H mode power threshold, P LH , so that H-mode plasmas were achieved with Ohmic heating alone. The power threshold for the transition to the H-mode regime was found to be 10× the accepted values from the ITER international scaling, confirming initial trends indicated by experiments on MAST and NSTX, and suggesting that the physics behind this transition is not yet fully understood. The density dependence of the transition and the observed insensitivity to whether the plasma is bounded by a limiter or magnetic divertor are consistent with the recent FM 3 model. Multiple unstable toroidal magnetic modes were measured during ELM (Edge Localized Mode) crashes, with generally lower toroidal mode numbers than seen at higher A , which was attributed to the larger peeling mode instability drive at low A . First-ever edge current profile measurements through an ELM crash showed current-carrying filaments were generated, as seen in ELM simulations and in electromagnetic blob transport theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

CT dose equilibration and energy absorption in polyethylene cylinders with diameters from 6 to 55 cm

Purpose: ICRU Report No. 87 Committee and AAPM Task Group 200 designed a three-sectional polyethylene phantom of 30 cm in diameter and 60 cm in length for evaluating the midpoint dose D{sub L}(0) and its rise-to-the-equilibrium curve H(L) = D{sub L}(0)/D{sub eq} from computed tomography (CT) scanning, where D{sub eq} is the equilibrium dose. To aid the use of the phantom in radiation dose assessment and to gain an understanding of dose equilibration and energy absorption in polyethylene, the authors evaluated the short (20 cm) to long (60 cm) phantom dose ratio with a polyethylene diameter of 30 cm, assessed H(L) in polyethylene cylinders of 6–55 cm in diameters, and examined energy absorption in these cylinders. Methods: A GEANT4-based Monte Carlo program was used to simulate the single axial scans of polyethylene cylinders (diameters 6–55 cm and length 90 cm, as well as diameter 30 cm and lengths 20 and 60 cm) on a clinical CT scanner (Somatom Definition dual source CT, Siemens Healthcare). Axial dose distributions were computed on the phantom central and peripheral axes. An average dose over the central 23 or 100 mm region was evaluated for modeling dose measurement using a 0.6 cm{sup 3} thimble chamber or a 10 cm long pencil ion chamber, respectively. The short (20 cm) to long (90 cm) phantom dose ratios were calculated for the 30 cm diameter polyethylene phantoms scanned at four tube voltages (80–140 kV) and a range of beam apertures (1–25 cm). H(L) was evaluated using the dose integrals computed with the 90 cm long phantoms. The resultant H(L) data were subsequently used to compute the fraction of the total energy absorbed inside or outside the scan range (E{sub in}/E or E{sub out}/E) on the phantom central and peripheral axes, where E = LD{sub eq} was the total energy absorbed along the z axis. Results: The midpoint dose in the 60 cm long polyethylene phantom was equal to that in the 90 cm long polyethylene phantom. The short-to-long phantom dose ratios changed with beam aperture and phantom axis but were insensitive to tube voltage. H(L) was insensitive to tube voltage and CT scanner model. As phantom diameter increased from 6 to 55 cm, E{sub in}/E generally decreased but asymptotically approached constant levels on the peripheral axes of large phantoms. The curve of E{sub in}/E versus scan length was almost identical to that of H(L). Similarly, E{sub out}/E increased with scan length and asymptotically approached the equilibrium for large scan lengths. E{sub out}/D{sub eq} was much less than the equilibrium length L{sub eq} where H(L) = 0.98, even with scan lengths much larger than L{sub eq}. Conclusions: The polyethylene phantom designed by ICRU Report No. 87 Committee and AAPM Task Group 200 is adequately long for assessing the midpoint dose and its equilibration in CT scanning. The short-to-long phantom dose ratios and the H(L) data provided in this paper allow easy evaluations of the midpoint dose, longitudinal dose distribution, and energy absorption in polyethylene phantoms. The results of dose equilibration and energy absorption presented herein may be insightful for the clinical CT scans with various subject sizes and scan lengths.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Utilizing rare earth elements as tracers in high TDS reservoir brines in CCS applications

In this paper we report the result of research associated with the testing of a procedures necessary for utilizing natural occurring trace elements, specifically the Rare Earth Elements (REE) as geochemical tracers in Carbon Capture and Storage (CCS) applications. Trace elements, particularly REE may be well suited to serve as in situ tracers for monitoring geochemical conditions and the migration of CO₂-charged waters within CCS storage systems. We have been conducting studies to determine the efficacy of using REE as a tracer and characterization tool in the laboratory, at a CCS analogue site in Soda Springs, Idaho, and at a proposed CCS reservoir at the Rock Springs Uplift, Wyoming. Results from field and laboratory studies have been encouraging and show that REE may be an effective tracer in CCS systems and overlying aquifers. In recent years, a series of studies using REE as a natural groundwater tracer have been conducted successfully at various locations around the globe. Additionally, REE and other trace elements have been successfully used as in situ tracers to describe the evolution of deep sedimentary Basins. Our goal has been to establish naturally occurring REE as a useful monitoring measuring and verification (MMV) tool in CCS research because formation brine chemistry will be particularly sensitive to changes in local equilibrium caused by the addition of large volumes of CO₂. Because brine within CCS target formations will have been in chemical equilibrium with the host rocks for millions of years, the addition of large volumes of CO₂ will cause reactions in the formation that will drive changes to the brine chemistry due to the pH change caused by the formation of carbonic acid. This CO₂ driven change in formation fluid chemistry will have a major impact on water rock reaction equilibrium in the formation, which will impart a change in the REE fingerprint of the brine that can measured and be used to monitor in situ reservoir conditions. Our research has shown that the REE signature imparted to the formation fluid by the introduction of CO₂ to the formation, can be measured and tracked as part of an MMV program. Additionally, this REE fingerprint may serve as an ideal tracer for fluid migration, both within the CCS target formation, and should formation fluids migrate into overlying aquifers. However application of REE and other trace elements to CCS system is complicated by the high salt content of the brines contained within the target formations. In the United States by regulation, in order for a geologic reservoir to be considered suitable for carbon storage, it must contain formation brine with total dissolved solids (TDS) > 10,000 ppm, and in most cases formation brines have TDS well in excess of that threshold. The high salinity of these brines creates analytical problems for elemental analysis, including element interference with trace metals in Inductively Coupled Plasma Mass Spectroscopy (ICP-MS) (i.e. element mass overlap due to oxide or plasma phenomenon). Additionally, instruments like the ICP-MS that are sensitive enough to measure trace elements down to the parts per trillion level are quickly oversaturated when water TDS exceeds much more than 1,000 ppm. Normally this problem is dealt with through dilution of the sample, bringing the water chemistry into the instruments working range. However, dilution is not an option when analyzing these formation brines for trace metals, because trace elements, specifically the REE, which occur in aqueous solutions at the parts per trillion levels. Any dilution of the sample would make REE detection impossible. Therefore, the ability to use trace metals as in situ natural tracers in high TDS brines environments requires the development of methods for pre-concentrating trace elements, while reducing the salinity and associated elemental interference such that the brines can be routinely analyzed by standard ICP-MS methods. As part of the Big Sky Carbon Sequestration Project the INL-CAES has developed a rapid, easy to use process that pre-concentrates trace metals, including REE, up to 100x while eliminating interfering ions (e.g. Ba, Cl). The process is straightforward, inexpensive, and requires little infrastructure, using only a single chromatography column with inexpensive, reusable, commercially available resins and wash chemicals. The procedure has been tested with synthetic brines (215,000 ppm or less TDS) and field water samples (up to 5,000 ppm TDS). Testing has produced data of high quality with REE capture efficiency exceeding 95%, while reducing interfering elements by > 99%.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

From graphical to model-based distillation column design: A McCabe-Thiele-inspired mathematical programming approach

We propose a mixed-integer nonlinear programming (MINLP) model for simple and complex distillation column design and optimization. The model is based upon the concepts and equations underpinning the McCabe-Thiele method. Generalizing this method, we introduce material balances at various locations of the column and employ binary variables to determine the optimal number of trays and optimal feed locations. We model the vapor–liquid equilibrium using continuous piecewise linear approximating functions. The model is extended to account for multicomponent mixtures and non-constant-molar overflow. We also discuss how to estimate the minimum number of trays and the minimum reflux ratio.

42 ENGINEERING↗
DOE OSTI2019

Thermally induced transformations of Au@Cu 2 O core–shell nanoparticles into Au–Cu nanoparticles from temperature-programmed in situ powder X-ray diffraction

Temperature-programmed in situ X-ray diffraction with whole-powder-pattern modeling is used to investigate the reaction of Au@Cu 2 O core–shell nanoparticles to form nanocrystalline bimetallic Cu x Au 1− x alloys ( x = 0, 0.25, 0.5, 0.75, 1.0) in a reducing atmosphere. The mechanisms of the reactions are key to informed design of tailored non-equilibrium nanostructures for catalytic and plasmonic materials. The Au@Cu 2 O reaction is initiated by reduction of the Cu 2 O cuprite shell to form nanocrystalline metallic Cu at about 413 K. Alloying begins immediately upon formation of metallic Cu at 413 K, with the nucleation of an Au-rich alloy phase which reaches the nominal Cu content of the overall system stoichiometry by 493 K. All bimetallic alloys form a transient ordered Cu 3 Au intermetallic compound at intermediate temperatures, with the onset of ordering and subsequent disordering varying by composition. No evidence for an ordered Au 3 Cu intermetallic is found for any composition. Significant crystal growth in the bimetallic phase is apparent at higher temperatures, with the onset temperature increasing with Cu concentration and initial Cu-shell thickness. The reduction of the cuprite phase is slowed by the presence of the core–shell interface, and crystal growth in the Cu shell is completely suppressed within the alloy systems.

Chemistry↗
DOE OSTI2025

Accelerating discoveries at DIII-D with the Integrated Research Infrastructure

DIII-D research is being accelerated by leveraging high performance computing (HPC) and data resources available through the National Energy Research Scientific Computing Center (NERSC) Superfacility initiative. As part of this initiative, a high-resolution, fully automated, whole discharge kinetic equilibrium reconstruction workflow was developed that runs at the NERSC for most DIII-D shots in under 20 min. This has eliminated a long-standing research barrier and opened the door to more sophisticated analyses, including plasma transport and stability. These capabilities would benefit from being automated and executed within the larger Department of Energy Advanced Scientific Computing Research program’s Integrated Research Infrastructure (IRI) framework. The goal of IRI is to empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. For transport, we are looking at producing flux matched profiles and also using particle tracing to predict fast ion heat deposition from neutral beam injection before a shot takes place. Our starting point for evaluating plasma stability focuses on the pedestal limits that must be navigated to achieve better confinement. This information is meant to help operators run more effective experiments, so it needs to be available rapidly inside the DIII-D control room. So far this has been achieved by ensuring the data is available with existing tools, but as more novel results are produced new visualization tools must be developed. In addition, all of the high-quality data we have generated has been collected into databases that can unlock even deeper insights. This has already been leveraged for model and code validation studies as well as for developing AI/ML surrogates. The workflows developed for this project are intended to serve as prototypes that can be replicated on other experiments and can be run to provide timely and essential information for ITER, as well as next stage fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Development of Computational Tools for Modeling Thermal and Radiation Effects on Grain Boundary Segregation and Precipitation in Fe-Cr-Ni-based Alloys

This work aims at developing computational tools for modeling thermal and radiation effects on solute segregation at grain boundaries (GBs) and precipitation. This report described two major efforts. One is the development of computational tools on integrated modeling of thermal equilibrium segregation (TES) and radiation-induced segregation (RIS), from which synergistic effects of thermal and radiation, pre-existing GB segregation have been taken into consideration. This integrated modeling was used in describing the Cr and Ni segregation in the Fe-Cr-Ni alloys. The other effort is thermodynamic modeling on the Fe-Cr-Ni-Mo system which includes the major alloying elements in the investigated alloys in the Advanced Radiation Resistant Materials (ARRM) program. Through thermodynamic calculation, we provide baseline thermodynamic stability of the hardening phase Ni2(Cr,Mo) in selected Ni-based super alloys, and contribute knowledge on mechanistic understanding on the formation of Ni2(Cr,Mo) in the irradiated materials. The major outcomes from this work are listed in the following: 1) Under the simultaneous thermal and irradiation conditions, radiation-induced segregation played a dominant role in the GB segregation. The pre-existing GB segregation only affects the subsequent radiation-induced segregation in the short time. For the same element, the segregation tendency of Cr and Ni due to TES is opposite to it from RIS. The opposite tendency can lead to the formation of W-shape profile. These findings are consistent with literature observation of the transitory W-shape profile. 2) While TES only affects the distance of one or two atomic layers from GBs, the RIS can affect a broader distance from GB. Therefore, the W-shape due to pre-existing GB segregation is much narrower than that due to composition gradient formed during the transient state. Considering the measurement resolution of Auger or STEM analysis, the segregation tendency due to RIS should play a dominant role in the measured values. However, The GB segregation due to pre-existing GB segregation may affect the chemical potential of element at GB, and subsequently the corrosion resistance. 3) Based on the newly developed thermodynamic database of Fe-Cr-Ni-Mo, we predicted the Ni2(Cr,Mo) as a thermodynamically stable phase in all investigated low Fe-content Ni-based alloys. The calculated phase amount decreases with the increasing Fe content, being consistent with that observed in the irradiated materials. 4) The formation of the Ni2(Cr,Mo) phase in irradiated materials is due to irradiation enhanced diffusion. The calculated equilibrium Ni2(Cr,Mo) amount is more than that observed in the irradiated materials, suggesting that the amount of Ni2(Cr,Mo) is likely to increase more with further irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Double Galaxy Cluster A2465. III. X-Ray and Weak-lensing Observations

We report Chandra X-ray observations and optical weak-lensing measurements from Subaru/Suprime-Cam images of the double galaxy cluster A2465 ( z = 0.245). The X-ray brightness data are fit to a β model to obtain the radial gas density profiles of the northeast (NE) and southwest (SW) subcomponents, which are seen to differ in structure. We determine core radii, central temperatures, the gas masses within r {sub 500c}, and the total masses for the broader NE and sharper SW components assuming hydrostatic equilibrium. There is no large X-ray excess between the two components. The central entropy of the NE subcluster is about two times higher than the SW. Along with its structural properties and an apparent radio halo that is a sign of a merger, this suggests that the NE component has undergone merging on its own. The weak-lensing analysis gives virial masses for each substructure, which compare well with earlier dynamical results. The derived outer mass contours of the SW sub-component from weak lensing are more irregular and extended than those of the NE. Although there is a weak enhancement and small offsets between X-ray gas and mass centers from weak lensing, the lack of large amounts of gas between the two subclusters indicates that A2465 is in a pre-merger state. We discuss star formation enhancement in this system resulting from its dynamics and shock-induced star formation scenarios. A dynamical model that is consistent with the observed cluster data, based on the FLASH program and the radial infall model, is constructed, where the subclusters currently separated by ∼1.2 Mpc are approaching each other at ∼2000 km s{sup −1} and will meet in ∼0.4 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

The first principle study of Ni{sub 2}ScGa and Ni{sub 2}TiGa

We computed the electronic structure, elastic moduli, vibrational properties, and Ni{sub 2}TiGa and Ni{sub 2}ScGa alloys in the cubic L2{sub 1} structure. The obtained equilibrium lattice constants of these alloys are in good agreement with available data. In cubic systems, there are three independent elastic constants, namely C{sub 11}, C{sub 12} and C{sub 44}. We calculated elastic constants in L2{sub 1} structure for Ni{sub 2}TiGa and Ni{sub 2}ScGa using the energy-strain method. The electronic band structure, total and partial density of states for these alloys were investigated within density functional theory using the plane-wave pseudopotential method implemented in Quantum-Espresso program package. From band structure, total and projected density of states, we observed metallic characters of these compounds. The electronic calculation indicate that the predominant contributions of the density of states at Fermi level come from the Ni 3d states and Sc 3d states for Ni{sub 2}TiGa, Ni 3d states and Sc 3d states for Ni{sub 2}ScGa. The computed density of states at Fermi energy are 2.22 states/eV Cell for Ni{sub 2}TiGa, 0.76 states/eV Cell for Ni{sub 2}ScGa. The vibrational properties were obtained using a linear response in the framework at the density functional perturbation theory. For the alloys, the results show that the L2{sub 1} phase is unstable since the phonon calculations have imagine modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

TOI-1231 b: A Temperate, Neptune-sized Planet Transiting the Nearby M3 Dwarf NLTT 24399

We report the discovery of a transiting, temperate, Neptune-sized exoplanet orbiting the nearby (d = 27.5 pc), M3V star TOI-1231 (NLTT 24399, L 248-27, 2MASS J10265947-5228099). The planet was detected using photometric data from the Transiting Exoplanet Survey Satellite and followed up with observations from the Las Cumbres Observatory and the Antarctica Search for Transiting ExoPlanets program. Combining the photometric data sets, we find that the newly discovered planet has a radius of 3.65{sub −0.15}{sup +0.16} R{sub ⊕} and an orbital period of 24.246 days. Radial velocity measurements obtained with the Planet Finder Spectrograph on the Magellan Clay telescope confirm the existence of the planet and lead to a mass measurement of 15.5 ± 3.3 M {sub ⊕}. With an equilibrium temperature of just 330 K, TOI-1231 b is one of the coolest small planets accessible for atmospheric studies thus far, and its host star’s bright near-infrared brightness (J = 8.88, K {sub s} = 8.07) makes it an exciting target for the Hubble Space Telescope and the James Webb Space Telescope. Future atmospheric observations would enable the first comparative planetology efforts in the 250–350 K temperature regime via comparisons with K2-18 b. Furthermore, TOI-1231's high systemic radial velocity (70.5 km s{sup −1}) may allow for the detection of low-velocity hydrogen atoms escaping the planet by Doppler, shifting the H i Lyα stellar emission away from the geocoronal and interstellar medium absorption features.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

The Hubble Space Telescope PanCET Program: An Optical to Infrared Transmission Spectrum of HAT-P-32Ab

We present a 0.3−5 μm transmission spectrum of the hot Jupiter HAT-P-32Ab observed with the Space Telescope Imaging Spectrograph and Wide Field Camera 3 instruments mounted on the Hubble Space Telescope, combined with Spitzer Infrared Array Camera photometry. The spectrum is composed of 51 spectrophotometric bins with widths ranging between 150 and 400 Å, measured to a median precision of 215 ppm. Comparisons of the observed transmission spectrum to a grid of 1D radiative-convective equilibrium models indicate the presence of clouds/hazes, consistent with previous transit observations and secondary eclipse measurements. To provide more robust constraints on the planet’s atmospheric properties, we perform the first full optical to infrared retrieval analysis for this planet. The retrieved spectrum is consistent with a limb temperature of 1248{sub −92}{sup +92} K, a thick cloud deck, enhanced Rayleigh scattering, and ∼10× solar H{sub 2}O abundance. We find log(Z/Z {sub ⊙}) = 2.41{sub −0.07}{sup +0.06}, and compare this measurement with the mass–metallicity relation derived for the solar system.

79 ASTRONOMY AND ASTROPHYSICS↗