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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 145 records · Page 8

Progress Towards Accelerating the Unified Model on Hybrid Multi-Core Systems

The cloud microphysics scheme, CASIM, and the radiation scheme, SOCRATES, are two computationally intensive parts within the Met Office's Unified Model (UM). This study enables CASIM and SOCRATES to use accelerated multi-core systems for optimal computational performance of the UM. Using profiling to guide our efforts, we refactored the code for optimal threading and kernel arrangement and implemented OpenACC directives manually or through the CLAW source-to-source translator. Initial porting results achieved 10.02x and 9.25x speedup in CASIM and SOCRATES respectively on 1 GPU compared with 1 CPU core. A granular performance analysis of the strategy and bottlenecks are discussed. These improvements will enable UM to run on heterogeneous computers and a path forward for further improvements is provided.

Zhang, Wei↗

Cobalt-Free Cathodes for Next Generation Li-Ion Batteries

In this U.S. Department of Energy sponsored project Nexceris, in collaboration with project partners; The Ohio State University and Navitas Advanced Systems have advanced the technical maturity of a non-cobalt containing cathode for next-generation Li-ion batteries. The cathode is based on the lithium manganese nickel-titanium oxide, LiNi 0.5 Mn 1.5 TiO 4 (LNMTO) high voltage spinel. To address limitations with poor cycle and calendar life an microstucturally hierarchical LNMO/LNMTO core-shell cathode powder has been developed that enables the formation of a solid-electrolyte interface that effectively passivates the cathode surface. The microstructural enhancements of the cathode material focus on preferentially enriching the surface with titanium. In parallel, new, optimized binder and electrolyte chemistries have been incorporated to address degradation mechanisms associated with high-voltage systems. Single-layer pouch cell and large-format 2-Ah cell testing have shown that an optimized LNMO/LNMTO core-shell powder significantly improves initial cell capacity and cycle life compared to homogeneous LNMO powder. To support development and the fabrication of 2-Ah cells a novel Hybrid Alternative Wet-Chemical Synthesis (HAWCS) process have been developed. This low-cost, synthesis approach enables the excellent compositional and particle morphology control achieved with co-precipitation without the strict process controls and associated expensive process equipment.

25 ENERGY STORAGE↗

Scalable and Power Efficient Data Analytics for Hybrid Exascale Systems

This project developed a generic and optimized set of core data analytics functions. These functions organically consolidate a broad constellation of high performance analytical pipelines. As the architectures of emerging HPC systems become inherently heterogeneous, there is a need to design algorithms for data analysis kernels accelerated on hybrid multi-node, multi-core HPC architectures comprised of a mix of CPUs, GPUs, and SSDs. Furthermore, the power-aware trend drives the advances in our performance-energy tradeoff analysis framework which enables our data analysis kernels algorithms and software to be parameterized so that users can choose the right power-performance optimizations.

97 MATHEMATICS AND COMPUTING↗

Emergency core cooling system performance criteria for Multi-Layered Silicon Carbide nuclear fuel cladding

Multi-layered Silicon Carbide (SiC) cladding has been proposed to replace the current Zircaloy (Zr) cladding in existing nuclear power plants. Due to its ceramic property, SiC may have a different failure mechanism from that of metallic Zr clad. This characteristic should be considered in designing the plant’s safety system performance, such that the fuel’s integrity is reasonably assured during accident scenarios. This paper aims at optimizing the Emergency Core Cooling System (ECCS) performance criteria in mitigating LBLOCA accidents at a Pressurized Water Reactor (PWR) using the uranium dioxide fuel and duplex or triplex SiC cladding structures. Clad failures by brittle fractures and thermal degradation were modeled in a fuel analysis code. This fuel model was coupled with the RELAP5 plant model by adapting the fuel’s mesh configuration and formulating the effective heat transfer coefficients. A model to quantify the likelihood of clad functional failure as a combination of individual layer fractures at various axial positions was proposed. Updated SiC material properties were gathered from recent reference studies. Clad reliability estimates using the proposed model were compared with the estimates obtained using other models. The results were used to relax the criterion of required actuation timing of ECCS, such that the risk of the new plant design is less or equal to that of the initial plant configuration. Triplex clad was more reliable than duplex clad and Zr, reducing the conditional core damage probability by three orders of magnitude in the reference LBLOCA scenario. Compressive stresses due to irradiation swelling played the determining role in the vulnerabilities of each clad design. The duplex clad was vulnerable to pressure-loading stresses while triplex clad was prone to fail due to thermal shocks experienced during the LOCA reflood phase. Additionally, it was concluded that the most vulnerable axial fuel rod location in the reference LBLOCA scenario was located at the highest axial power peaking location. A sensitivity study on the ECCS timing density was conducted. The results showed that ECCS actuation timing could be extended from the initial technical specification, without increasing the fuel damage likelihood. The time extension was distributed in the order of several hundreds of seconds, which was comparable with time extensions offered by FeCrAl and Cr-coated-Zr clad designs in LBLOCA scenarios. This time extension may potentially reduce the failure probabilities of EDGs and pumps, hence improving the plant safety further.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Very High Temperature Reactor (VHTR) Deep Burn Core and Fuel Analysis -- Complete Design Selection for the Pebble Bed Reactor

The Deep-Burn (DB) concept focuses on the destruction of transuranic nuclides from used light water reactor fuel. These transuranic nuclides are incorporated into TRISO coated fuel particles and used in gas-cooled reactors with the aim of a fractional fuel burnup of 60 to 70% in fissions per initial metal atom (FIMA). This high performance is expected through the use of multiple recirculation passes of the fuel in pebble form without any physical or chemical changes between passes. In particular, the concept does not call for reprocessing of the fuel between passes. In principle, the DB pebble bed concept employs the same reactor designs as the presently envisioned low-enriched uranium core designs, such as the 400 MWth Pebble Bed Modular Reactor (PBMR-400). Although it has been shown in the previous Fiscal Year (2009) that a PuO2 fueled pebble bed reactor concept is viable, achieving a high fuel burnup, while remaining within safety-imposed prescribed operational limits for fuel temperature, power peaking and temperature reactivity feedback coefficients for the entire temperature range, is challenging. The presence of the isotopes 239-Pu, 240-Pu and 241-Pu that have resonances in the thermal energy range significantly modifies the neutron thermal energy spectrum as compared to a ”standard,” UO2-fueled core. Therefore, the DB pebble bed core exhibits a relatively hard neutron energy spectrum. However, regions within the pebble bed that are near the graphite reflectors experience a locally softer spectrum. This can lead to power and temperature peaking in these regions. Furthermore, a shift of the thermal energy spectrum with increasing temperature can lead to increased absorption in the resonances of the fissile Pu isotopes. This can lead to a positive temperature reactivity coefficient for the graphite moderator under certain operating conditions. The effort of this task in FY 2010 has focused on the optimization of the core to maximize the pebble discharge burnup level, while retaining its inherent safety characteristics. Using generic pebble bed reactor cores, this task will perform physics calculations to evaluate the capabilities of the pebble bed reactor to perform utilization and destruction of LWR used-fuel transuranics. The task will use established benchmarked models, and will introduce modeling advancements appropriate to the nature of the fuel considered (high TRU content and high burn-up).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Common-mode inductor saturation analysis and design optimization based on spectrum concept

Understanding the CM inductor core saturation mechanism and reducing core flux density is critical for CM inductor design optimization. Instead of a time domain method, this paper introduces frequency domain spectrum concept for CM inductor core saturation analysis and design optimization, which will provide designers a better understanding of CM inductor design. First, both core permeability and converter modulation index's opposite influence on DM flux density and CM flux density are identified. Then, CM flux density is further investigated based on the spectrum concept. Three components in the CM inductor which may cause large CM flux density and core saturation are summarized: (1) switching frequency related components, (2) impedance resonance frequency related components, and (3) modulation frequency related components. Each component is investigated for CM flux density reduction and filter design optimization. A connecting AC and DC side midpoint with notch filter structure is proposed to reduce modulation frequency related components. Experiment results are presented to verify the proposed concept and method.

Chen, Ruirui↗

The Heuristic Static Load-Balancing Algorithm Applied to the Community Earth System Model

We propose to use the heuristic static loadbalancing (HSLB) algorithm for solving load-balancing problems in the Community Earth System Model (CESM), a climate model, using fitted benchmark data as an alternative to the current manual approach. The problem of allocating the optimal number of CPU cores to CESM components is formulated as a mixed-integer nonlinear optimization problem which is solved by using an optimization branch-and-bound solver implemented in the MINLP package MINOTAUR. The key feature of the branch-and- bound method is that it guarantees to provide an optimal solution or show that none exists. Our algorithm was tested for the 1 degrees and 1/8 degrees resolution simulations on 32,768 nodes (131,072 cores) of IBM Blue Gene/P where we consistently achieved well load-balanced results. This work is a part of a broader effort to eliminate the need for manual tuning of the code for each platform and simulation type, improve the performance and scalability of CESM, and develop automated tools to achieve these goals.

Alekseev, Yury↗

An Investigation of the Use of Fully Ceramic Microencapsulated Fuel for Transuranic Waste Recycling in Pressurized Water Reactors

An investigation of the utilization of TRistructural- ISOtropic (TRISO)-coated fuel particles for the burning of plutonium/neptunium (Pu/Np) isotopes in typical Westinghouse four-loop pressurized water reactors is presented. Though numerous studies have evaluated the burning of transuranic isotopes in light water reactors (LWRs), this work differentiates itself by employing Pu/Np-loaded TRISO particles embedded within a silicon carbide (SiC) matrix and formed into pellets, constituting the fully ceramic microencapsulated (FCM) fuel concept that can be loaded into standard LWR fuel element cladding. This approach provides the capability of Pu/Np burning and, by virtue of the multibarrier TRISO particle design and SiC matrix properties, will allow for greater burnup of Pu/Np material, plus improved fuel reliability and thermal performance. In this study, a variety of heterogeneous assembly layouts, which utilize a mix of FCM rods and typical UO2 rods, and core loading patterns were analyzed to demonstrate the neutronic feasibility of Pu/Np-loaded TRISO fuel. The assembly and core designs herein reported are not fully optimized and require fine-tuning to flatten power peaks; however, the progress achieved thus far strongly supports the conclusion that with further rod/assembly/core loading and placement optimization, Pu/Np-loaded TRISO fuel and core designs that are capable of balancing Pu/Np production and destruction can be designed within the standard constraints for thermal and reactivity performance in pressurized water reactors.

Gentry, Cole A↗

Final Report on Utilization of TRU TRISO Fuel as Applied to HTR Systems Part I: Pebble Bed Reactors

The Deep-Burn (DB) concept [ ] focuses on the destruction of transuranic nuclides from used light water reactor (LWR) fuel. These transuranic nuclides are incorporated into tri-isotopic (TRISO) coated fuel particles and used in gas-cooled reactors with the aim of a fractional fuel burnup of 60 to 70% in fissions per initial metal atom (FIMA). This high performance is expected through the use of multiple recirculation passes of the fuel in pebble form without any physical or chemical changes between passes. In particular, the concept does not call for reprocessing of the fuel between passes. In principle, the DB pebble bed concept employs the same reactor designs as the presently envisioned low-enriched uranium core designs, such as the 400 MWth Pebble Bed Modular Reactor (PBMR-400) [ ]. Although it has been shown in the previous Fiscal Year (FY) (2009) that a PuO2 fueled pebble bed reactor concept is viable, achieving a high fuel burnup while remaining within safety-imposed prescribed operational limits for fuel temperature, power peaking, and temperature reactivity feedback coefficients for the entire temperature range, is challenging. The presence of the isotopes 239Pu, 240Pu, and 241Pu that have resonances in the thermal energy range significantly modifies the neutron thermal energy spectrum as compared to a standard, UO2-fueled core. Therefore, the DB pebble bed core exhibits a relatively hard neutron energy spectrum. However, regions within the pebble bed that are near the graphite reflectors experience a locally softer spectrum. This can lead to power and temperature peaking in these regions. Furthermore, a shift of the thermal energy spectrum with increasing temperature can lead to increased absorption in the resonances of the fissile Pu isotopes. This can lead to a positive temperature reactivity coefficient for the graphite moderator under certain operating conditions. Regarding the coated particle performance, the FY 2009 investigations showed that no significant failure is to be expected for the reference fuel particle during normal operation. It was found, however, that the sensitivity of the coating stress to the CO production in the kernel was large. The CO production is expected to be higher in DB fuel than in UO2 fuel, but its exact level has a high uncertainty. Furthermore, in the fuel performance analysis transient conditions were not yet taken into account. The effort of this task in FY 2010 has focused on the optimization of the core to maximize the pebble discharge burnup level, while retaining its inherent safety characteristics. Using generic pebble bed reactor cores, this task will perform physics calculations to evaluate the capabilities of the pebble bed reactor to perform utilization and destruction of LWR used-fuel transuranics. The task will use established benchmarked models, and will introduce modeling advancements appropriate to the nature of the fuel considered (high transuranic [TRU] content and high burn-up). Accomplishments of this work include: •Core analysis of a HTR-MODULE design loaded with Deep-Burn fuel. •Core analysis of a HTR-MODULE design loaded with Deep-Burn fuel and Uranium. •Core analysis of a HTR-MODULE design loaded with Deep-Burn fuel and Modified Open Cycle Components. •Core analysis of a HTR-MODULE design loaded with Deep-Burn fuel and Americium targets.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Small CaH{sub 2} Moderated Thermal Reactor for Surface Power Generation II: Core Neutronics Design

National Aeronautics and Space Administration (NASA) is considering to adopt a small nuclear reactor for the planned Mars surface mission. The required specifications of the reactor system are: 10- to 100-kW electric power with power density above 5 We/kg; 8-year stable operation. In the proposed study, stretch goals for this surface power system were set as: electric power of 20 kWe with total system weight below 1000 kg. Furthermore, nuclear security and nuclear safety in the case of launch accidents must be considered for surface power systems, therefore, selecting low enriched uranium (LEU, = 20 wt% of {sup 235}U/U) is preferable due to its lower criticality. However, the reactor core weight tends to increase in the case of a reactor with LEU fuel, because relatively larger-mass core is required to achieve the critical. The essential feature of the space reactor core neutronics design is to balance between the nuclear security and safety, and the mass reduction of the core. Some feasible methods to reduce the core mass in the case of the LEU core are: (1) optimized neutron moderation, (2) reduce neutron leakage, and (3) increase multiplication of neutron. A solid moderator has been proposed by Kimura et.al.: neutron leakage control and neutron multiplicity will be featured in the current study. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Unusually high critical current of clean P-doped BaFe{sub 2}As{sub 2} single crystalline thin film

Microstructurally clean, isovalently P-doped BaFe{sub 2}As{sub 2} (Ba-122) single crystalline thin films have been prepared on MgO (001) substrates by molecular beam epitaxy. These films show a superconducting transition temperature (T{sub c}) of over 30 K although P content is around 0.22, which is lower than the optimal one for single crystals (i.e., 0.33). The enhanced T{sub c} at this doping level is attributed to the in-plane tensile strain. The strained film shows high transport self-field critical current densities (J{sub c}) of over 6 MA/cm{sup 2} at 4.2 K, which are among the highest for Fe based superconductors (FeSCs). In-field J{sub c} exceeds 0.1 MA/cm{sup 2} at μ{sub 0}H=35 T for H‖ab and μ{sub 0}H=18 T for H‖c at 4.2 K, respectively, in spite of moderate upper critical fields compared to other FeSCs with similar T{sub c}. Structural investigations reveal no defects or misoriented grains pointing to strong pinning centers. We relate this unexpected high J{sub c} to a strong enhancement of the vortex core energy at optimal T{sub c}, driven by in-plane strain and doping. These unusually high J{sub c} make P-doped Ba-122 very favorable for high-field magnet applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

COMSOL Results for the Nominal Steady-State Operation of the Proposed 95-MW LEU Silicide Core for HFIR Conversion

Engineering design studies are being performed to determine the feasibility of converting the High Flux Isotope Reactor (HFIR) from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel at Oak Ridge National Laboratory. This activity is sponsored by the Office of Reactor Conversion and Uranium Supply (ORCUS) under the auspices of the US Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization. HFIR is a very high flux, pressurized, light water–cooled and moderated, flux trap–type research reactor with a core made of involute shaped U 3 O 8 /Al cermet fuel plates and coolant channels. HFIR currently operates at a thermal power of 85 MW and supports key national and international missions in neutron scattering, isotope production, materials/fuels irradiation, neutron activation analysis, gamma irradiation, and neutrino research. Advanced multiphysics computational fluid dynamics models have been developed in the COMSOL Multiphysics software to simulate the steady-state operating conditions for the proposed low-and high-density LEU U 3 Si 2 -Al (uranium silicide dispersion) fuel designs. The COMSOL models for HFIR inner and outer fuel element models incorporate various essential inputs and physics such as spatially dependent nuclear heat deposition, multilayer heat conduction, conjugate heat transfer, turbulent flows (using Reynolds-averaged Navier Stokes turbulence models), structural mechanics (thermal–structural interactions and fuel swelling), and oxide layer build-up. This report presents the best-estimate thermal hydraulics results for the low- and high-density optimized silicide LEU core designs at 95 MW steady-state nominal operation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Small-Angle Neutron Scattering Reveals pH-Dependent Conformational Changes in Trichoderma reesei Cellobiohydrolase I: Implications for Enzymatic Activity

Cellobiohydrolase I (Cel7A) of the fungus Trichoderma reesei (now classified as an anamorph of Hypocrea jecorina) hydrolyzes crystalline cellulose to soluble sugars, making it of key interest for producing fermentable sugars from biomass for biofuel production. The activity of the enzyme is pH-dependent, with its highest activity occurring at pH 4 5. To probe the response of the solution structure of Cel7A to changes in pH, we measured small angle neutron scattering of it in a series of solutions having pH values of 7.0, 6.0, 5.3, and 4.2. As the pH decreases from 7.0 to 5.3, the enzyme structure remains well defined, possessing a spatial differentiation between the cellulose binding domain and the catalytic core that only changes subtly. At pH 4.2, the solution conformation of the enzyme changes to a structure that is intermediate between a properly folded enzyme and a denatured, unfolded state, yet the secondary structure of the enzyme is essentially unaltered. The results indicate that at the pH of optimal activity, the catalytic core of the enzyme adopts a structure in which the compact packing typical of a fully folded polypeptide chain is disrupted and suggest that the increased range of structures afforded by this disordered state plays an important role in the increased activity of Cel7A through conformational selection.

09 BIOMASS FUELS↗

Reaching bandwidth saturation using transparent injection parallelization

Although logically available, applications may not exploit enough instantaneous communication concurrency to maximize network utilization on HPC systems. This is exacerbated in hybrid programming models that combine single program multiple data with OpenMP or CUDA. We present the design of a “multi-threaded” runtime able to transparently increase the instantaneous network concurrency and to provide near saturation bandwidth, independent of the application configuration and dynamic behavior. The runtime offloads communication requests from application level tasks to multiple communication servers. The servers use system specific performance models to attain network saturation. Our techniques alleviate the need for spatial and temporal application level message concurrency optimizations. Experimental results show improved message throughput and bandwidth by as much as 150% for 4 KB messages on InfiniBand and by as much as 120% for 4 KB messages on Cray Aries. For more complex operations such as all-to-all collectives, we observe as much as 30% speedup. This translates into 23% speedup on 12,288 cores for a NAS FT implemented using FFTW. We observe as much as 76% speedup on 1500 cores for an already optimized UPC+OpenMP geometric multigrid application using hybrid parallelism. For the geometric multigrid GPU implementation, we observe as much as 44% speedup on 512 GPUs.

Chaimov, Nicholas↗

Assessing the Performance and Scalability of a Novel Multilevel K-Nomial Allgather on CORE-Direct Systems

In this paper, we propose a novel allgather algorithm, Reindexed Recursive K-ing (RRK), which leverages flexibility in the algorithm’s tree topology and ability to make asynchronous progress coupled with Core-Direct communication offload capability to optimize the MPI_Allgather for Core-Direct enabled systems. In particular, the RRK introduces a reindexing scheme which ensures contiguous data transfers while adding only a single additional send and receive operation for any radix, k, or communicator size, N. This allows us to improve algorithm scalability by avoiding the use of a scatter/gather elements (SGE) list on InfiniBand networks. The implementations of the RRK algorithm and its evaluation shows that it performs and scales well on Core-Direct systems for a wide range of message sizes and various communicator configurations.

Allgather↗