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At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Measurement of neutron capture cross section of 187 W for production of 188 W

Tungsten-188 (t 1/2 = 69.4 d) is routinely produced by double neutron capture using highly enriched 186 W target, 186 W(n,γ) 187 W(n,γ) 188 W reaction, at the ORNL 85 MWt High Flux Isotope Reactor. Here, while the thermal neutron cross section for the first reaction, 186 W(n,γ) 187 W, is well known, the single reported 64 b cross-section for the second reaction, 187 W(n,γ) 188 W, cannot be validated by experimental results that yield lower than expected activities of 188 W. In this study, we report a new value for the thermal neutron capture cross section of 187 W. After confirming the neutron capture cross section of 186 W (σ 0 = 37.8 ± 1.8 b for thermal and I 0 = 476 ± 25 b for resonance integrals with σ 0 /I 0 = 12.6 ± 0.4) in two short irradiations, longer irradiations (1–10 d) were performed to obtain a value of 6.5 ± 0.8 b for the σ 0 of 187 W, which is lower than the adopted value by a factor of 10. Due to the short half-life of 187 W (t 1/2 = 23.7 d), the σ 0 for 187 W was obtained empirically by comparing the 188 W experimental yields with the theoretical yields generated by code IsoChain and varying the 187 W cross section while keeping all other parameters constant.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Overcoming challenges to support US resumption of high specific activity cobalt-60

Domestic production of high specific activity 60 Co was halted after a target rupture in 2012 at the Advanced Test Reactor (ATR). The Isotope Program (IP) within the US Department of Energy (DOE) Office of Science tasked a multilaboratory team of researchers and managers from Oak Ridge and Idaho National Laboratories with the redesign the radioisotope capsule. The objective of this effort was to create a more robust and reliable design, compared to the pre-2012 target. The team successfully completed this task to produce the DOE-IP cobalt (Co) production capsule design. Furthermore, 66 capsules were successfully fabricated by Oak Ridge National Laboratory (ORNL) and delivered to Idaho National Laboratory (INL) for irradiation in the ATR between January 2014 and October 2016. This paper describes the efforts of the team to prepare and disposition the two initial DOE-IP Co production capsules that were processed in March 2020. These efforts include performing accurate production predictions, experimentally validating predictions with assay measurements, shipping with the Orano-furnished Battelle Energy Alliance Research Reactor shipping package, and disassembling capsules at the isotope vendor site.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

The role of precursor modification on the production of graphite foam

A high-conductivity graphite foam developed at Oak Ridge National Laboratory (ORNL) owes its unique thermal properties to the highly aligned graphitic structure along the cell walls. The material exhibits a peak in thermal conductivity at temperatures like that of highly ordered natural graphite, indicating the foam has an extremely graphitic nature. This paper explores the manufacturing process to identify processing conditions that most affect the properties of the foam, such that the production of the foam can be easily tailored to different applications. This paper examines processing conditions from the precursor preparation as well as additives to the precursor, such as graphene, on the resulting foam structure and thermal properties. It was found that heat treating the precursor mesophase to increase melt viscosity and decrease off gassing during foaming decreased the thermal conductivity of the final foams, however, it resulted in smaller pores. Additions of graphene platelets decreases the thermal conductivity of the foams while simultaneously decreasing the pore size as well. In conclusion, these tradeoffs are evident and present the manufacturer options to tailor the foams.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct air capture with bis-iminoguanidines: From discovery to commercialization

Here, research on direct air capture (DAC) of CO 2 at Oak Ridge National Laboratory (ORNL) over the past five years is highlighted, starting with the initial discovery, continuing with fundamental and applied research, and concluding with commercialization by teaming up with industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Dynamic load balancing for petascale quantum Monte Carlo applications: The Alias method

Diffusion Monte Carlo is the most accurate widely used Quantum Monte Carlo method for the electronic structure of materials, but it requires frequent load balancing or population redistribution steps to maintain efficiency and avoid accumulation of systematic errors on parallel machines. The load balancing step can be a significant factor affecting performance, and will become more important as the number of processing elements increases. We propose a new dynamic load balancing algorithm, the Alias Method, and evaluate it theoretically and empirically. An important feature of the new algorithm is that the load can be perfectly balanced with each process receiving at most one message. It is also optimal in the maximum size of messages received by any process. We also optimize its implementation to reduce network contention, a process facilitated by the low messaging requirement of the algorithm. Empirical results on the petaflop Cray XT Jaguar supercomputer at ORNL showing up to 30% improvement in performance on 120,000 cores. The load balancing algorithm may be straightforwardly implemented in existing codes. The algorithm may also be employed by any method with many near identical computational tasks that requires load balancing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods

We present the first open release of the DCA++ project, a high-performance research software framework to solve quantum many-body problems with cutting edge quantum cluster algorithms. DCA++ implements the dynamical cluster approximation (DCA) and its DCA extension with a continuous self-energy. The algorithms capture nonlocal correlations in strongly correlated electron systems, thereby giving insight into high-$T_c$ superconductivity. The code’s scalability allows efficient usage of systems at all scales, from workstations to leadership computers. With regard to the increasing heterogeneity of modern computing machines, DCA++ provides portable performance on conventional and emerging new architectures, such as hybrid CPU–GPU, sustaining multiple petaflops on ORNL’s Titan and CSCS’ Piz Daint supercomputers. Moreover, we show how sustainable and scalable development of the code base has been achieved by adopting standard techniques of the software industry. These include employing a distributed version control system, applying test-driven development and following continuous integration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

PART 1- techno-economic analysis of a grid scale Ground-Level Integrated Diverse Energy Storage (GLIDES) technology

In this paper, a techno-economic model / cost reduction analysis of a low-cost, dispatchable / scalable, efficient Ground-Level Integrated Diverse Energy Storage (GLIDES) system is analyzed, along with a review of existing state-of-the-art energy storage technologies. The introduced technology, GLIDES, which was invented at the Oak Ridge National Laboratory (ORNL), stores energy by compression and expansion of air using water as a liquid piston inside high-pressure reservoirs. GLIDES is introduced by combining Pumped Hydroelectric Storage (PHS) and Compressed Air Energy Storage (CAES) technologies. Here, by replacing inefficient gas compressor and turbine with higher efficiency liquid turbomachines for liquid-piston compression/expansion, GLIDES achieves higher roundtrip efficiency than other gas compression-based energy storage technologies and is a scalable energy storage system. For cost reduction purposes, various pressure reservoirs including steel vessels, carbon fiber vessels, pipe segments, and underground pressure reservoirs are analyzed in this paper. Based on the analyzed data using the models discussed in this paper, energy storage costs as low as ~$14/kWh and ~346/kWh (roundtrip efficiency (RTE) ~80%) can be achieved for a grid-scale GLIDES using depleted oil/gas reservoirs and high-pressure pipe segments respectively.

25 ENERGY STORAGE↗
DOE OSTI2013

55Fe effect on enhancing ferritic steel He/dpa ratio in fission reactor irradiations to simulate fusion conditions

How to increase the ferritic steel He(appm)/dpa ratio in a fission reactor neutron spectrum is an important question for fusion reactor material testing. An early experiment showed that the accelerated He(appm)/dpa ratio of about 2.3 was achieved for 96% enriched 54Fe in iron with 458.2 effective full power days (EFPD) irradiation in the High Flux Isotope Reactor (HFIR), ORNL. Greenwood suggested that the transmutation produced 55Fe has a thermal neutron helium production cross section which may have an effect on this result. In the current work, the ferritic steel He(appm)/dpa ratio is studied in the neutron spectrum of HFIR with 55Fe thermal neutron helium production taken into account. The available ENDF-b format 55Fe incident neutron cross section file from TENDL, Netherlands, is first input into the calculation model. A benchmark calculation for the same sample as used in the aforementioned experiment was used to adjust and evaluate the TENDL 55Fe (n, a) cross section values. The analysis shows a decrease of a factor of 6700 for the TENDL 55Fe (n, a) cross section in the intermediate and low energy regions is required in order to fit the experimental results. The best fit to the cross section value at thermal neutron energy is about 27 mb. With the adjusted 55Fe (n, a) cross sections, calculation show that the 54Fe and 55Fe isotopes can be enriched by the isotopic tailoring technique in a ferritic steel sample irradiated in HFIR to significantly enhance the helium production rate. The results show that a 70% enriched 54Fe and 30% enriched 55Fe ferritic steel sample would produce a He(appm)/dpa ratio of about 13 initially in the HFIR peripheral target position (PTP). After one year irradiation, the ratio decreases to about 10. This new calculation can be used to guide future isotopic tailoring experiments designed to increase the He(appm)/dpa ratio in fission reactors. A benchmark experiment is suggested to be performed to evaluate the 55Fe (n, a) cross section at thermal energy.

55Fe(n,helium) reaction, He(appm)/dpa ratio, isoto↗
DOE OSTI2017

State of the art and perspective of high-speed pellet injection technology

The injection of cryogenic pellets from the low field side (LFS) has long been in use for core fuelling of fusion devices, but injection from the high field side (HFS) has proved to provide a more effective core particle deposition, despite the severe limitations imposed to the pellet speed (≤300 m/s) by inboard accessibility. Later, an alternative approach may be that of injecting high-speed pellets from the HFS, through suitable “free-flight” paths, eliminating curved transfer systems. Furthermore, the expected length of the plasma discharges will require steady-state repetitive systems. ORNL and ENEA have been collaborating on high-speed injectors since 1990; they successfully realized a high-speed repeating pellet injector (2.55 km/s at 1 Hz). Since then, good progress has been achieved on both fronts of steady-state extruders, and operation and reliability of two-stage guns. A comprehensive R&D program is therefore proposed to investigate how far speed limits and repetition rates of combined two-stage guns and steady-state extruders technologies can be extended. We present simulations results showing pellet penetration for several injection locations on a tokamak under construction such as JT60-SA, on the basis of one set of design plasma parameters.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

Demonstration of RELAP5-3D for transient analysis of a dual coolant lead lithium fusion blanket concept

Our research aims to build a multiphysics framework for transient analysis of the Dual- Coolant Lead-Lithium (DCLL) blanket design of the proposed Fusion Nuclear Science Facility (FNSF) for all Onticipated Operational Occurrences (AOOs) using Reduced Order Models (ROMs). This paper presents an assessment of using RELAP5-3D for transient thermal-hydraulic blanket analysis of the DCLL design. Preliminary validation studies for the RELAP5-3D properties were conducted using a representative vertical flow loop model and a comparison study using experimental data from the thermal convection corrosion loops at ORNL. These studies inspected the thermal hydraulic response of Lead-Lithium Eutectic (PbLi) systems within the RELAP5-3D code; mainly pressure drop and heat transfer, as compared to analytical calculations and experimental data. The Magnetohydrodynamic (MHD) pressure drop effect for liquid metal under the effects of a uniform magnetic field was implemented into our models using an equivalent forms loss coefficient based on the phasic momentum equations. We verified our implementation of MHD pressure drop within RELAP5-3D using a systematic approach consisting of two studies. Models were developed to perform comparison studies based on experimental data from the Argonne Liquid metal EXperiment (ALEX) facility and the Magnetohydrodynamic PbLi Experiment (MaPLE) facility. Using the developed validation basis, we built a simplified DCLL channel model within RELAP5-3D, inspected MHD pressure drop and performed transient temperature analysis. The DCLL channel model used radial heating data from the International Thermonuclear Experimental Reactor (ITER) which was normalized to the FNSF design. Here, a representative startup transient was performed using a relative power curve from the initial ramp up of a long-term power pulse of the Tore Supra reactor. This study demonstrated that RELAP5-3D ROMs are capable of accurate transient analysis of the DCLL blanket. We have since utilized MCNP to develop heating profiles based on the FNSF design and are working toward implementing them into our DCLL model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Design and analysis of actively-cooled, edge-transport diagnostic for long-pulsed operation in WEST

Next step fusion devices that will operate in steady-state will require complex plasma-facing components (PFCs) that can survive the harsh environment over long timescales not common in current devices. This will require robust plasma facing surfaces that are integrated with active cooling systems. In a collaboration between CEA and ORNL, a plasma-interacting diagnostic is being designed for the W Environment in Steady-state Tokamak (WEST) in Cadarache, France which requires plasma-facing protection like those needed for steady-state PFCs. This integrated diagnostic studies edge transport and impurity migration within WEST, and is planned to include imbedded temperature Langmuir probe sensors, as well as removeable sample slots for ex-situ surface analysis of plasma-material interactions. The entire assembly is expected to move into the plasma edge for periods up to 1000 s having an energy removeable capability of ∼6 kW and seeing a peak heat flux of more than 7 MW/m2. The assembly compliments WEST high fluence campaigns that plan for multiple 1000 s pulses. Within these specifications, the assembly will require a refractory metal plasma facing surface and integral cooling in order to function within the limited space allotted for such diagnostics. Because of the limited space and linear actuator needs, additive manufacturing of the high heat flux working end of the assembly is being considered which could allow for precision cooling-channels and lighter weight designs. Conceptual design along with simulation and analysis results will be presented for this complex diagnostic with novel PFCs.

Lumsdaine, Arnold↗
DOE OSTI2023

In-depth analysis on parallel processing patterns for high-performance Dataframes

The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its efficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Data-Driven Modeling of a High Capacity Cryogenic System for Control Optimization

The Cryogenic Moderator System (CMS) is responsible for maintaining a steady flow of cold neutrons for numerous physics experiments at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory (ORNL). Sudden losses in beam power, known as beam trips, cause a major disturbance to the CMS due to large step changes in cooling demands. Ongoing efforts on upgrading the neutron beam power from 1.4 to 2.0MW are expected to generate larger transients that can further strain the CMS subsystems if they are not properly controlled. To manage such disturbances, four flow valves and one electric heater are adjusted by five decentralized proportional-integral-derivative (PID) controllers. However, the original PID gains were calibrated empirically based only on tracking performance and not based on disturbance rejection. To address this issue without compromising current CMS operations, a control-oriented model was developed to recalibrate the PID controllers offline. The zero-dimensional (0-D) model was based on simple physics-based principles and data-driven system identification techniques. The CMS was broken into several subsystems for analysis, each of which corresponds to a parametric model tied to the thermodynamic states of the working fluid. The model parameters were identified using the nonlinear least squares method where the residuals were calculated from available sensor data. Simulation results show that the proposed model can capture the dynamics of the CMS at steady state and during beam trips.

Maldonado Puente, Bryan↗
DOE OSTI2018

On the use of high-gradient magnetic force field in capturing airborne particles

Airborne particles in the environment are generally smaller than a couple of microns. Use of magnetic force to collect aerosol particles thus has not been popular as the other means. There are billions of airborne particles emitted by a host of man-made sources with the particle size smaller than 1 µm and possess some magnetic susceptibility. We are thus interested in the use of high-gradient magnetic collection to extract the magnetic fraction in an aerosol population. Here in this study, we reported that the magnetic force is the dominant force in collection of ferromagnetic particles of mobility equivalent size larger than or equal to 50 nm in a high-gradient permanent-magnetic aerosol collector, while the diffusiophoretic force is responsible for particles smaller than 10 nm. Both forces compete for particles in between these two sizes in the magnetic aerosol collector designed for this study. To enable a wide-range effective collection of aerosol particles across entire size spectrum from a few nanometers to tens of a micron, the ORNL-designed high-gradient magnetic collector would require the use of an engineered matrix. Thus, the matrix design for a specific application becomes application specific. Irrespective of the collection efficiency, the use of permanent magnets to collect magnetic particles is feasible and also highly selective because it tunes into the magnetic susceptibility of the particles as well as the size. Lastly, the use of permanent magnets enables the collector to be operated at a minimal power requirement, which is a critical factor in long-term field operation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Isopiestic measurements of thermodynamic properties for the aqueous system LiBr–CaBr 2 –H 2 O at 373.15 K

In this study, the isopiestic molalities for the systems LiBr–H 2 O, CaBr 2 –H 2 O and LiBr–CaBr 2 –H 2 O were measured at 373.15 K with the isopiestic method using the Oak Ridge National Laboratory (ORNL) high–temperature gravimetric isopiestic apparatus. The osmotic coefficients were determined based on the lithium chloride and sodium chloride reference standards. The vapor pressure diagrams and osmotic coefficient diagrams at different mole fraction for LiBr were plotted. The calculated vapor pressure with water activities agree well with the experimental data. On the basis of Pitzer original and its extended model, the Pitzer binary parameters β (0) , β (1) C (0) and C (1) for the systems LiBr–H 2 O and CaBr 2 –H 2 O and mixing parameters of θ Li,Ca and ψ Li,Ca,Br were fitted with the measured osmotic coefficients. The calculated osmotic coefficients for systems LiBr–H 2 O and CaBr 2 –H 2 O agree well with the experimental data. The agreement between the calculated water activities and experimental results for the ternary system indicates that the parameters obtained in this work are reliable for water activity calculation. Finally, the thermodynamic data obtained in this study are essential for development of universal thermodynamic models for brine systems containing lithium bromide and calcium bromide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Innovative mathematical modeling in environmental remediation

There are two different ways to model reactive transport: ad hoc and innovative reaction-based approaches. The former, such as the Kd simplification of adsorption, has been widely employed by practitioners, while the latter has been mainly used in scientific communities for elucidating mechanisms of biogeochemical transport processes. It is believed that innovative mechanistic-based models could serve as protocols for environmental remediation as well. This paper reviews the development of a mechanistically coupled fluid flow, thermal transport, hydrologic transport, and reactive biogeochemical model and example-applications to environmental remediation problems. Theoretical bases are sufficiently described. Four example problems previously carried out are used to demonstrate how numerical experimentation can be used to evaluate the feasibility of different remediation approaches. The first one involved the application of a 56-species uranium tailing problem to the Melton Branch Subwatershed at Oak Ridge National Laboratory (ORNL) using the parallel version of the model. Simulations were made to demonstrate the potential mobilization of uranium and other chelating agents in the proposed waste disposal site. The second problem simulated laboratory-scale system to investigate the role of natural attenuation in potential off-site migration of uranium from uranium mill tailings after restoration. It showed inadequacy of using a single Kd even for a homogeneous medium. The third example simulated laboratory experiments involving extremely high concentrations of uranium, technetium, aluminum, nitrate, and toxic metals (e.g.,Ni, Cr, Co).The fourth example modeled microbially-mediated immobilization of uranium in an unconfined aquifer using acetate amendment in a field-scale experiment. The purposes of these modeling studies were to simulate various mechanisms of mobilization and immobilization of radioactive wastes and to illustrate how to apply reactive transport models for environmental remediation.The second problem simulated laboratory-scale system to investigate the role of natural attenuation in potential off-site migration of uranium from uranium mill tailings after restoration. It showed inadequacy of using a single Kd even for a homogeneous medium.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Evaluation of Pb-17Li compatibility of ODS Fe-12Cr-5Al alloys

The Dual Coolant Lead Lithium (DCLL: eutectic Pb–17Li and He) blanket concept requires improved Pb–17Li compatibility with ferritic steels in order to demonstrate acceptable performance in fusion reactors. As an initial step, static Pb-17at.%Li (Pb-17Li) capsule experiments were conducted on new oxide dispersion strengthened (ODS) FeCrAl alloys ((1) Y 2 O 3 (125Y), (2) Y 2 O 3 +ZrO 2 (125YZ), (3) Y 2 O 3 +HfO 2 (125YH), and (4) Y 2 O 3 +TiO 2 (125YT)) produced at ORNL via mechanical alloying (MA). Tests were conducted in static Pb–17Li for 1000 h at 700°C. Alloys showed promising compatibility with Pb–17Li with small mass change after testing for 125YZ, 125YH and 125YT, while the 125Y alloy experienced the highest mass loss associated with some oxide spallation and subsequent alloy dissolution. X-ray diffraction methods identified the surface reaction product as LiAlO 2 on all four alloys. A small decrease (~1 at.%) in Al content beneath the oxide scale was observed in all 4 ODS alloys, which extended through 60 μm beneath the oxide/metal interface. This indicates improvements in alloy dissolution by decreasing the amount of Al loss from the alloy. Scales formed on 125YZ, 125YH and 125YT were examined via scanning transmission electron microscopy (S/TEM) and revealed incorporation of Zr-, Hf-, and Ti-rich precipitates within the LiAlO2 product, respectively. This indicates an inward scale growth mechanism. Future work in flowing Pb–17Li is needed to further evaluate the effectiveness of this strategy in a test blanket module.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of HFIR neutron irradiation on fracture toughness properties of standard and Ni-doped F82H

F82H is the Japanese reference reduced-activation ferritic-martensitic (RAFM) steel for fusion blanket applications. The harsh environment of a fusion reactor, such as neutron irradiation and He/H damage, can result in significant degradation of F82H fracture toughness. Therefore, understanding the fracture toughness behavior of F82H in the fusion environment is critical to ensure the long-term safe operation of the fusion reactor. Here, we summarize seven irradiation campaigns of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) covering five variants of F82H steels, including F82H IEA, F82H Mod3, F82H doped with 1.4% natural Ni, F82H doped with 1.4% 58 Ni, and F82H doped with 1.4% 60 Ni. The irradiation temperatures covered the range from 220 °C to 530 °C and the neutron irradiation dose spanned 4 dpa to 70 dpa. The effects of neutron irradiation temperature, dose, materials composition, Ni doping, and He production on F82H fracture toughness are discussed. Our results showed that irradiation embrittlement monotonically decreased with increasing irradiation temperature until 400 °C for F82H IEA and F82H Mod3. F82H Mod3 showed better fracture toughness than F82H IEA both before and after neutron irradiation. We determined that 1.4% Ni alloying can be applied to F82H for simulating He effect in a fission reactor without jeopardizing the fracture toughness of the material. However, more studies are needed to understand the effect of high dose (>20 dpa) and He production on F82H fracture toughness.

36 MATERIALS SCIENCE↗