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At least 1,351 records · Page 75

International Approaches for Nuclear Waste Disposal in Geological Formations: Report on Fifth Worldwide Review

An important issue for present and future generations is the final disposal of spent nuclear fuel. Over the past over forty years, the development of technologies to isolate both spent nuclear fuel (SNF) and other high-level nuclear waste (HLW) generated at nuclear power plants and from production of defense materials, and low- and intermediate-level nuclear waste (LILW) in underground rock and sediments has been found to be a challenging undertaking. Finding an appropriate solution for the disposal of nuclear waste is an important issue for protection of the environment and public health, and it is a prerequisite for the future of nuclear power. The purpose of a deep geological repository for nuclear waste is to provide to future generations, protection against any harmful release of radioactive material, even after the memory of the repository may have been lost, and regardless of the technical knowledge of future generations. The results of a wide variety of investigations on the development of technology for radioactive waste isolation from 19 countries were published in the First Worldwide Review in 1991 (Witherspoon, 1991). The results of investigations from 26 countries were published in the Second Worldwide Review in 1996 (Witherspoon, 1996). The results from 32 countries were summarized in the Third Worldwide Review in 2001 (Witherspoon and Bodvarsson, 2001). The last compilation had results from 24 countries assembled in the Fourth Worldwide Review (WWR) on radioactive waste isolation (Witherspoon and Bodvarsson, 2006). Since publication of the last report in 2006, radioactive waste disposal approaches have continued to evolve, and there have been major developments in a number of national geological disposal programs. Significant experience has been obtained both in preparing and reviewing cases for the operational and long-term safety of proposed and operating repositories. Disposal of radioactive waste is a complex issue, not only because of the nature of the waste, but also because of the detailed regulatory structure for dealing with radioactive waste, the variety of stakeholders involved, and (in some cases) the number of regulatory entities involved.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An a priori evaluation of a principal component and artificial neural network based combustion model in diesel engine conditions

A principal component analysis (PCA) and artificial neural network (ANN) based chemistry tabulation approach is presented. ANNs are used to map the thermochemical state onto a low-dimensional manifold consisting of five control variables that have been identified using PCA. Three canonical configurations are considered to train the PCA-ANN model: a series of homogeneous reactors, a nonpremixed flamelet, and a two-dimensional lifted flame. The performance of the model in predicting the thermochemical manifold of a spatially-developing turbulent jet flame in diesel engine thermochemical conditions is a priori evaluated using direct numerical simulation (DNS) data. The PCA-ANN approach is compared with a conventional tabulation approach (tabulation using ad hoc defined control variables and linear interpolation). The PCA-ANN model provides higher accuracy and requires several orders of magnitude less memory. Here, these observations indicate that the PCA-ANN model is superior for chemistry tabulation, especially for modelling complex chemistries that present multiple combustion modes as observed in diesel combustion. The performance of the PCA-ANN model is then compared to the optimal estimator, i.e. the conditional mean from the DNS. The results indicate that the PCA-ANN model gives high prediction accuracy, comparable to the optimal estimator, especially for major species and the thermophysical properties. Higher errors are observed for the minor species and reaction rate predictions when compared to the optimal estimator. It is shown that the prediction of minor species and reaction rates can be improved by using training data that exhibits a variation of parameters as observed in the turbulent flame. The output of the ANN is analysed to assess mass conservation. It is observed that the ANN incurs a mean absolute error of 0.05% in mass conservation. Furthermore, it is demonstrated that this error can be reduced by modifying the cost function of the ANN to penalise for deviation from mass conservation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Non-metallic dopant modulation of conductivity in substoichiometric tantalum pentoxide: A first-principles study

Here, we apply density-functional theory calculations to predict dopant modulation of electrical conductivity (σ o ) for seven dopants (C, Si, Ge, H, F, N, and B) sampled at 18 quantum molecular dynamics configurations of five independent insertion sites into two (high/low) baseline references of σo in amorphous Ta 2 O 5 , where each reference contains a single, neutral O vacancy center (V O 0 ). From this statistical population (n = 1260), we analyze defect levels, physical structure, and valence charge distributions to characterize nanoscale modification of the atomistic structure in local dopant neighborhoods. C is the most effective dopant at lowering Ta 2 O x σ o , while also exhibiting an amphoteric doping behavior by either donating or accepting charge depending on the host oxide matrix. Both B and F robustly increase Ta 2 O x σ o , although F does so through elimination of Ta high charge outliers, while B insertion conversely creates high charge O outliers through favorable BO 3 group formation, especially in the low σ o reference. While N applications to dope and passivate oxides are prevalent, we also found that N exacerbates the stochasticity of σ o we sought to mitigate; sensitivity to the N insertion site and some propensity to form N-O bond chemistries appear responsible. Finally, we use direct first-principles predictions of σ o to explore feasible Ta 2 O 5 dopants to engineer improved oxides with lower variance and greater repeatability to advance the manufacturability of resistive memory technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Coarse-Grained Model of Affinity Maturation Indicates the Importance of B-Cell Receptor Avidity in Epitope Subdominance

The elicitation of broadly neutralizing antibodies (bnAbs) is a major goal in the design of vaccines against rapidly-mutating viruses. In the case of influenza, many bnAbs that target conserved epitopes on the stem of the hemagglutinin protein (HA) have been discovered. However, these antibodies are rare, are not boosted well upon reinfection, and often have low neutralization potency, compared to strain-specific antibodies directed to the HA head. Different hypotheses have been proposed to explain this phenomenon. We use a coarse-grained computational model of the germinal center reaction to investigate how B-cell receptor binding valency affects the growth and affinity maturation of competing B-cells. We find that receptors that are unable to bind antigen bivalently, and also those that do not bind antigen cooperatively, have significantly slower rates of growth, memory B-cell production, and, under certain conditions, rates of affinity maturation. The corresponding B-cells are predicted to be outcompeted by B-cells that bind bivalently and cooperatively. We use the model to explore strategies for a universal influenza vaccine, e.g., how to boost the concentrations of the slower growing cross-reactive antibodies directed to the stem. The results suggest that, upon natural reinfections subsequent to vaccination, the protectiveness of such vaccines would erode, possibly requiring regular boosts. Collectively, our results strongly support the importance of bivalent antibody binding in immunodominance, and suggest guidelines for developing a universal influenza vaccine.

60 APPLIED LIFE SCIENCES↗

The effects of proton exposure on neurochemistry and behavior

Future space missions will involve long-term travel beyond the magnetic field of the Earth, where astronauts will be exposed to radiation hazards such as those that arise from galactic cosmic rays. Galactic cosmic rays are composed of protons, alpha particles, and particles of high energy and charge (HZE particles). Research by our group has shown that exposure to HZE particles, primarily 600 MeV/n and 1 GeV/n 56Fe, can produce significant alterations in brain neurochemistry and behavior. However, given that protons can make up a significant portion of the radiation spectrum, it is important to study their effects on neural functioning and on related performance. Therefore, these studies examined the effects of exposure to proton irradiation on neurochemical and behavioral endpoints, including dopaminergic functioning, amphetamine-induced conditioned taste aversion learning, and spatial learning and memory as measured by the Morris water maze. Male Sprague-Dawley rats received a dose of 0, 1.5, 3.0 or 4.0 Gy of 250 MeV protons at Loma Linda University and were tested in the different behavioral tests at various times following exposure. Results showed that there was no effect of proton irradiation at any dose on any of the endpoints measured. Therefore, there is a contrast between the insignificant effects of high dose proton exposure and the dramatic effectiveness of low dose (<0.1 Gy) exposures to 56Fe particles on both neurochemical and behavioral endpoints. Published by Elsevier Ltd on behalf of COSPAR.

Non-NASA Center↗

Sub-Microsecond Polarization Switching in (Al,Sc)N Ferroelectric Capacitors Grown on Complementary Metal-Oxide-Semiconductor-Compatible Aluminum Electrodes

In this work, the frequency-dependent ferroelectric properties of 45 nm (Al,Sc)N films sputter deposited on complementary metal–oxide–semiconductor (CMOS)-compatible Al metal electrodes are measured and compared. Low in-plane compressive stress (-10 ± 20 MPa) is observed in (Al,Sc)N thin films deposited on Al electrodes. The (Al,Sc)N films exhibit an imprint in the measured coercive fields (E c ) of -4.3/+5.3 MV cm -1 at 10 kHz. Using positive-up negative-down (PUND) measurements, ferroelectric switching is observed within ≈200 ns of an applied voltage pulse, which demonstrates the ability of ferroelectric (Al,Sc)N to achieve the fast read/write speeds desired in memory devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Field-induced magnetic phase transitions and memory effect in bilayer ruthenate Ca 3 Ru 2 O 7 with Fe substitution

Bilayer ruthenate Ca 3 (Ru 1-x Fe x ) 2 O 7 (x = 0.05) exhibits an incommensurate magnetic soliton lattice driven by the Dzyaloshinskii–Moriya interaction. Here, in this work, we report complex field-induced magnetic phase transitions and memory effect in this system via single-crystal neutron diffraction and magnetotransport measurements. We observe first-order incommensurate-to-commensurate magnetic transitions upon applying the magnetic field both along and perpendicular to the propagation axis of the incommensurate spin structure. Furthermore, we find that the metastable states formed upon decreasing the magnetic field depend on the temperature and the applied field orientation. Lastly, we suggest that the observed field-induced metastability may be ascribable to the quenched kinetics at low temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Single Event Error (SEE) test and analysis of the CMS Endcap Timing Layer readout chip

The ETROC2, the first full size and full functionality prototype chip for the CMS Endcap Timing Layer readout, is strategically designed to meet the SEE immunity requirements of detector operation with the low power constraint. The triplicated periphery and pixel I2C configuration registers are designed with self-correction feature. The pixel readout control is centralized in the global readout and fully triplicated. The pixel readout is not triplicated, instead protected with power-efficient one-bit correction Hamming code. The TMR protection of the on-pixel threshold calibration can be turned off allowing the detection of the beam spot during the beam test by checking the bit-flips of the internal memory cells. In the initial proton beam test in January 2024, the chip readout process did not hang throughout the tests. The Hamming code correction strategy works because the error corrected TDC data were observed in the data frames. The error-injection simulation is performed to analy ze the small number of bit-flips in the configuration registers. We also performed SEE testing with a heavy ion beam in April and the data analysis is ongoing. The detailed design on the SEE immunity and the testing as well as simulation results will be presented, including follow-up SEE testing results in May and June 2024.

Gong, Datao↗

LED instrument approach instruction display

A display employing light emitting diodes (LED's) was developed to demonstrate the feasibility of such displays for presenting landing and navigation information to reduce the workload of general aviation pilots during IFR flight. The display consists of a paper tape reader, digital memory, control electronics, digital latches, and LED alphanumeric displays. A presentable digital countdown clock-timer is included as part of the system to provide a convenient means of monitoring time intervals for precise flight navigation. The system is a limited capability prototype assembled to test pilot reaction to such a device under simulated IFR operation. Pilot opinion indicates that the display is helpful in reducing the IFR pilots workload when used with a runway approach plate. However, the development of a compact, low power second generation display was recommended which could present several instructions simultaneously and provide information update capability. A microprocessor-based display could fulfill these requirements.

Meredith, B. D.↗

The design and implementation of a parallel unstructured Euler solver using software primitives

This paper is concerned with the implementation of a 3D unstructured-grid Euler-solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data-structure has been adopted, and a number of optimizations have been devised and implemented in order to accelerate the parallel computational rates. The implementation is carried out by creating a set of software tools, which ease the implementation of computational problems on parallel architecture machines by relieving the user of the low-level machine specific issues. The quantitative effect of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of three performance improvement. The overall solution efficiency is compared with that obtained on the CRAY-YMP vector supercomputer.

Das, R.↗

Self‐Assembled NiO Nanocrystal Arrays as Memristive Elements

Abstract Memristive switching, a nonlinear current–voltage ( I – V ) characteristic, has seen a tremendous surge in interest as an approach to achieve implementation of synaptic functions. The memristive switching behavior of self‐assembled NiO nanocrystals is investigated via scanning probe microscopy, based on first‐order reversal curve current–voltage spectroscopy. Synaptic switching is clearly observed as a direct consequence of filament growth (i.e., gradually increased conductance) in the nanocrystals. A spatial dependency of the conduction in the nanocrystals suggests that there is a localization of the switching filament. The current understanding of this localization ignores features related to local lateral variation current, which can generate an excessive local heat and temperature such as electrical dissipation. The observation of low electrical dissipation at the edge of the nanocrystals shows that less energy is wasted as heat such that the bias applied can be utilized more efficiently to assist the nucleation of the filament and thus reduces the power consumption. Electrical power dissipation is also found to scale with nanocrystal height and has spatial dependence within the nanocrystals. The combination of synaptic switching and high density of the nanocrystals demonstrate that it is feasible to exploit them to create a basic architecture for neuromorphic memory devices.

Kurnia, Fran↗

Shrink or Substitute: Handling Process Failures in HPC Systems Using In-Situ Recovery

Efficient utilization of today's high-performance computing (HPC) systems with complex software and hardware components requires that the HPC applications are designed to tolerate process failures at runtime. With low mean-time-to-failure (MTTF) of current and future HPC systems, long running simulations on these systems requires capabilities for gracefully handling process failures by the applications themselves. In this paper, we explore the use of fault tolerance extensions to Message Passing Interface (MPI) called user-level failure mitigation (ULFM) for handling process failures without the need to discard the progress made by the application. We explore two alternative recovery strategies, which use ULFM along with application-driven in-memory checkpointing. In the first case, the application is recovered with only the surviving processes, and in the second case, spares are used to replace the failed processes, such that the original configuration of the application is restored. Our experimental results demonstrate that graceful degradation is a viable alternative for recovery in environments where spares may not be available.

Ashraf, Rizwan↗

Evaluation of the Single-precision Floatingpoint Vector Add Kernel Using the Intel FPGA SDK for OpenCL

Open Computing Language (OpenCL) is a high-level language that enables software programmers to explore Field Programmable Gate Arrays (FPGAs) for application acceleration. The Intel FPGA software development kit (SDK) for OpenCL allows a user to specify applications at a high level and explore the performance of low-level hardware acceleration. In this report, we present the FPGA performance and power consumption results of the single-precision floating-point vector add OpenCL kernel using the Intel FPGA SDK for OpenCL on the Nallatech 385A FPGA board. The board features an Arria 10 FPGA. We evaluate the FPGA implementations using the compute unit duplication and kernel vectorization optimization techniques. On the Nallatech 385A FPGA board, the maximum compute kernel bandwidth we achieve is 25.8 GB/s, approximately 76% of the peak memory bandwidth. The power consumption of the FPGA device when running the kernels ranges from 29W to 42W.

97 MATHEMATICS AND COMPUTING↗

Two-dimensional Euler and Navier-Stokes Time accurate simulations of fan rotor flows

Two numerical methods are presented which describe the unsteady flow field in the blade-to-blade plane of an axial fan rotor. These methods solve the compressible, time-dependent, Euler and the compressible, turbulent, time-dependent, Navier-Stokes conservation equations for mass, momentum, and energy. The Navier-Stokes equations are written in Favre-averaged form and are closed with an approximate two-equation turbulence model with low Reynolds number and compressibility effects included. The unsteady aerodynamic component is obtained by superposing inflow or outflow unsteadiness to the steady conditions through time-dependent boundary conditions. The integration in space is performed by using a finite volume scheme, and the integration in time is performed by using k-stage Runge-Kutta schemes, k = 2,5. The numerical integration algorithm allows the reduction of the computational cost of an unsteady simulation involving high frequency disturbances in both CPU time and memory requirements. Less than 200 sec of CPU time are required to advance the Euler equations in a computational grid made up of about 2000 grid during 10,000 time steps on a CRAY Y-MP computer, with a required memory of less than 0.3 megawords.

Boretti, A. A.↗

Using Big Data Technologies with Earth Science Data in HDF5: HDF5 Scalable Solutions

HDF5 (Hierarchical Data Format 5) is open-source, high-performance software that consists of an abstract data model, library, and fileformat used for storing and managing extremely large and/or complex data collections. NASA Earth Observing System (EOS) Data and Information Systems use HDF5 as an archival format to store remote sensing data from EOS satellites. HDF5 is also used to store other types of Geoscience and Strophysical data, e.g., seismic data and data from Low-Frequency Array (LOFAR) radio telescopes. Data stored in HDF5 has reached tens of petabytes and is growing at an accelerated rate.With the growing amout of HDF5 Earth Science data to analyze and process, scientists need to adopt big data technologies including new storage paradigms such as cloud and object storage. To run models and perform data analysis they also need to utilizied efficient and diverse ways to access data, from high-performance computing's (HPC) Message Passing Interface (MPI) I/O and deep memory hierarchies (DMH) to non-HPC frameworks such as Apache Hadoop, Spark, and Drill. The HDF Group continually works to enable usage of big data technologies in HDF software.

Knox, Larry↗

Analysis of self-heating of thermally assisted spin-transfer torque magnetic random access memory

Thermal assistance has been shown to significantly reduce the required operation power for spin torque transfer magnetic random access memory (STT-MRAM). Proposed heating methods include modified material stack compositions that result in increased self-heating or external heat sources. Here, we analyze the self-heating process of a standard perpendicular magnetic anisotropy STT-MRAM device through numerical simulations in order to understand the relative contributions of Joule, thermoelectric Peltier and Thomson, and tunneling junction heating. A 2D rotationally symmetric numerical model is used to solve the coupled electro-thermal equations including thermoelectric effects and heat absorbed or released at the tunneling junction. We compare self-heating for different common passivation materials, positive and negative electrical current polarity, and different device thermal anchoring and boundaries resistance configurations. The variations considered are found to result in significant differences in maximum temperatures reached. Average increases of 3 K, 10 K, and 100 K for different passivation materials, positive and negative polarity, and different thermal anchoring configurations, respectively, are observed. Furthermore, the highest temperatures, up to 424 K, are obtained for silicon dioxide as the passivation material, positive polarity, and low thermal anchoring with thermal boundary resistance configurations. Interestingly it is also found that due to the tunneling heat, Peltier effect, device geometry, and numerous interfacial layers around the magnetic tunnel junction (MTJ), most of the heat is dissipated on the lower potential side of the magnetic junction. We have observed this asymmetry in heating and is important as thermally assisted switching requires heating of the free layer specifically and this will be significantly different for the two polarity operations, set and reset.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Performance Characterization of De Novo Genome Assembly on Leading Parallel Systems.

De novo genome assembly is one of the most important and challenging computational problems in modern genomics; further, it shares algorithms and communication patterns important to other graph analytic and irregular applications. Unlike simulations, it has no floating point arithmetic and is dominated by small memory transactions within and between computing nodes. In this work, we focus on the highly scalable HipMer assembler and identify the dominant algorithms and communication patterns, also using microbenchmarks to capture the workload. We evaluate HipMer on a variety of platforms from the latest HPC systems to ethernet clusters. HipMer performs well on all single node systems, including the Xeon Phi manycore architecture. Given large enough problems, it also demonstrates excellent scaling across nodes in an HPC system, but requires a high speed network with low overhead and high injection rates. Our results shed light on the architectural features that are most important for achieving good parallel efficiency on this and related problems.

Ellis, Marquita↗

LibERI—A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism

A portable and performant graphics processing unit (GPU)-accelerated library for electron repulsion integral (ERI) evaluation, named LibERI, has been developed and implemented via directive-based (e.g., OpenMP and OpenACC) and standard language parallelism (e.g., Fortran DO CONCURRENT). Offloaded ERIs consist of integrals over low and high contraction s, p, and d functions using the rotated-axis and Rys quadrature methods. GPU codes are factorized based on previous developments with two layers of integral screening and quartet presorting. In this work, the density screening is moved to the GPU to enhance the computational efficacy for large molecular systems. Here, the L-shells in the Pople basis set are also separated into pure S and P shells to increase the ERI homogeneity and reduce atomic operations and the memory footprint. LibERI is compatible with any quantum chemistry drivers supporting the MolSSI Driver Interface. Benchmark calculations of LibERI interfaced with the GAMESS software package were carried out on various GPU architectures and molecular systems. The results show that the LibERI performance is comparable to other state-of-the-art GPU-accelerated codes (e.g., TeraChem and GMSHPC) and, in some cases, outperforms conventionally developed ERI CUDA kernels (e.g., QUICK) while fully maintaining portability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗