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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Approximate quantum circuit synthesis using block encodings

One of the challenges in quantum computing is the synthesis of unitary operators into quantum circuits with polylogarithmic gate complexity. Exact synthesis of generic unitaries requires an exponential number of gates in general. We propose a novel approximate quantum circuit synthesis technique by relaxing the unitary constraints and interchanging them for ancilla qubits via block encodings. This approach combines smaller block encodings, which are easier to synthesize, into quantum circuits for larger operators. Due to the use of block encodings, our technique is not limited to unitary operators and can be applied for the synthesis of arbitrary operators. Overall, we show that operators which can be approximated by a canonical polyadic expression with a polylogarithmic number of terms can be synthesized with polylogarithmic gate complexity with respect to the matrix dimension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Block orbital-selective Mott insulators: A spin excitation analysis

We present a comprehensive study of the spin excitations—as measured by the dynamical spin structure factor S(q,ω)—of the so-called block-magnetic state of low-dimensional orbital-selective Mott insulators. We realize this state via both a multi-orbital Hubbard model and a generalized Kondo-Heisenberg Hamiltonian. Due to various competing energy scales present in the models, the system develops periodic ferromagnetic islands of various shapes and sizes, which are antiferromagnetically coupled. The 2×2 particular case was already found experimentally in the ladder material BaFe2Se3 that becomes superconducting under pressure. Here we discuss the electronic density as well as Hubbard and Hund coupling dependence of S(q,ω) using density matrix renormalization group method. Several interesting features were identified: (1) An acoustic (dispersive spin-wave) mode develops. (2) The spin-wave bandwidth establishes a new energy scale that is strongly dependent on the size of the magnetic island and becomes abnormally small for large clusters. (3) Optical (dispersionless spin excitation) modes are present for all block states studied here. In addition, a variety of phenomenological spin Hamiltonians have been investigated but none matches entirely our results that were obtained primarily at intermediate Hubbard U strengths. Our comprehensive analysis provides theoretical guidance and motivation to crystal growers to search for appropriate candidate materials to realize the block states, and to neutron scattering experimentalists to confirm the exotic dynamical magnetic properties unveiled here, with a rich mixture of acoustic and optical features.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Possibility of 14 C cluster as a building block of medium-mass nuclei

The possibility of the 14 C cluster being a basic building block of medium-mass nuclei is discussed. Although α cluster structures have been widely discussed in the light N ≈ Z mass region, the neutron-to-proton ratio deviates from unity in the nuclei near β-stability line and in neutron-rich nuclei. Thus, more neutron-rich objects with N > Z could become the building blocks of cluster structures in such nuclei. The 14 C nucleus is strongly bound and can be regarded as such a candidate. In addition, the path to the lowest shell-model configuration at short relative distances is closed for the 14 C+ 14 C structure, contrary to the case of the 12 C+ 12 C structure; this allows an appreciable separation distance between the 14 C clusters. The recent development of the antisymmetrized quasicluster model (AQCM) allows us to utilize a j j-coupling shell-model wave function for each cluster in a simplified way. The AQCM results for the 14 C+ 14 C structure in 28 Mg are compared with the ones of cranked relativistic mean field (CRMF) calculations. Although theoretical frameworks of these two models are quite different, they give similar results for the nucleonic densities and rotational properties of the structure under investigation. The existence of a linear chain three- 14 C cluster structure in 42 Ar has also been predicted in AQCM. Furthermore, these results confirm the role of the 14 C cluster as a possible building block of cluster structures in medium-mass nuclei.

20 ≤ A ≤ 38↗
DOE OSTI2023

Floating Block Method for Quantum Monte Carlo Simulations

Quantum Monte Carlo simulations are powerful and versatile tools for the quantum many-body problem. In addition to the usual calculations of energies and eigenstate observables, quantum Monte Carlo simulations can in principle be used to build fast and accurate many-body emulators using eigenvector continuation or design time-dependent Hamiltonians for adiabatic quantum computing. Furthermore, these new applications require something that is missing from the published literature, an efficient quantum Monte Carlo scheme for computing the inner product of ground state eigenvectors corresponding to different Hamiltonians. In this work, we introduce an algorithm called the floating block method, which solves the problem by performing Euclidean time evolution with two different Hamiltonians and interleaving the corresponding time blocks. We use the floating block method and nuclear lattice simulations to build eigenvector continuation emulators for energies of 4 He, 8 Be, 12 C, and 16 O nuclei over a range of local and nonlocal interaction couplings. From the emulator data, we identify the quantum phase transition line from a Bose gas of alpha particles to a nuclear liquid.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Deep Learning-enhanced Block-Diagram Modeling of Solar Power Systems

Data-driven models of power system inverter-based resources are desired to run simulations faster than with detailed electromagnetic transient models, to hide proprietary design details, to support control system design applications, and to aggregate the effects of distributed energy resources. This paper applies a customized Hammerstein Wiener framework to train block diagram models from thousands of electromagnetic transient simulations or experimental test records. The block diagram models integrate with larger grid simulations as voltagecontrolled current sources or current-controlled voltage sources for several simulators. Guidelines for block architecture and training are presented. Three-phase balanced, three-phase unbalanced, and single-phase examples all achieve an acceptable root mean square error of no more than 0.05 per-unit.

Mcdermott, Thomas E. [Private consulting company]↗
DOE OSTI2024

Gradient Coding With Iterative Block Leverage Score Sampling

Gradient coding is a method for mitigating straggling servers in a centralized computing network that uses erasure-coding techniques to distributively carry out first-order optimization methods. Randomized numerical linear algebra uses randomization to develop improved algorithms for large-scale linear algebra computations. In this study, we propose a method for distributed optimization that combines gradient coding and randomized numerical linear algebra. The proposed method uses a randomized ℓ 2 -subspace embedding and a gradient coding technique to distribute blocks of data to the computational nodes of a centralized network, and at each iteration the central server only requires a small number of computations to obtain the steepest descent update. The novelty of our approach is that the data is replicated according to importance scores, called block leverage scores, in contrast to most gradient coding approaches that uniformly replicate the data blocks. Furthermore, we do not require a decoding step at each iteration, avoiding a bottleneck in previous gradient coding schemes. We show that our approach results in a valid ℓ 2 -subspace embedding, and that our resulting approximation converges to the optimal solution.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Selective Plasticization of Poly (ethylene oxide) (PEO) Block in Nanostructured Polystyrene– PEO– Polystyrene Triblock Copolymer Electrolytes

The plasticization of a polymer electrolyte usually promotes its ionic conductivity but decreases its storage modulus due to the increased polymer chain flexibility. Herein, we show that such a tradeoff between the ionic conductivity and the mechanical robustness of the polymer electrolyte can be alleviated by selective plasticization of the ion-conductive block, such as poly(ethylene oxide) (PEO) in a polystyrene (PS)– PEO–PS block copolymer (SEO) electrolyte using an ether type plasticizer, tetraethylene glycol dimethyl ether (TEGDME). In this work, at maximum plasticizer loading, the room temperature ionic conductivity increases by up to 3 orders, whereas the storage modulus, G' reduces to half, is still on the order of 10 2 MPa. At above the melting temperature of the PEO block, the dynamic storage modulus, G' of the plasticized membrane surpasses its dry PS-PEO-PS counterpart. Such a phenomenon results from that, a) TEGDME co-crystallizes with PEO to promote its crystallinity and hence the storage modulus, b) TEGDME swells the amorphous PEO phase to enhance the polymer chain segmental mobility and hence ionic conductivity, and c) the PS phase remains intact from TEGDME to keep the SEO elastic.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Nonlinear Response of Atmospheric Blocking to Early Winter Barents–Kara Seas Warming: An Idealized Model Study

Wintertime Ural blocking (UB) has been shown to play an important role in cold extremes over Eurasia, and thus it is useful to investigate the impact of warming over the Barents–Kara Seas (BKS) on the behavior of Ural blocking. In our study the response of UB to stepwise tropospheric warming over the BKS is examined using a dry dynamic core model. Nonlinear responses are found in the frequency and local persistence of UB. The frequency and local persistence of the UB increase with the strength of BKS warming in a less strong range and decrease with the further increase of BKS warming, which is linked to the UB propagation influenced by upstream background atmospheric circulation. For a weak BKS warming, the UB becomes more persistent due to its less westward movement associated with intensified upstream zonal wind and meridional potential vorticity gradient (PVy) in the North Atlantic mid-high latitudes, which corresponds to a negative height response over the North Atlantic high latitudes. When BKS warming is strong, a positive height response appears in the early winter stratosphere, and its subsequent downward propagation leads to a negative NAO response or increased Greenland blocking events, which reduces zonal wind and PVy in the high latitudes from North Atlantic to Europe, thus enhancing the westward propagation of UB and reducing its local persistence. The transition to the negative NAO phase and the retrogression of UB are not found when numerically suppressing the downward influence of weakened stratospheric polar vortex, suggesting a crucial role of the stratospheric pathway in nonlinear responses of UB to the early winter BKS warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Predicted success of prophylactic antiviral therapy to block or delay SARS-CoV-2 infection depends on the drug's mechanism of action

Repurposed drugs that are safe and immediately available constitute a first line of defense against new viral infections. Despite limited antiviral activity against SARS-CoV-2, several drugs are being tested as medication or as prophylaxis to prevent infection. Using a stochastic model of early phase infection, we evaluate the success of prophylactic treatment with different drug types to prevent viral infection. We find that there exists a critical efficacy that a treatment must reach in order to block viral establishment. Treatment by a combination of drugs reduces the critical efficacy, most effectively by the combination of a drug blocking viral entry into cells and a drug increasing viral clearance. Below the critical efficacy, the risk of infection can nonetheless be reduced. Drugs blocking viral entry into cells or enhancing viral clearance reduce the risk of infection more than drugs that reduce viral production in infected cells. The larger the initial inoculum of infectious virus, the less likely is prevention of an infection. In our model, we find that as long as the viral inoculum is smaller than 10 infectious virus particles, viral infection can be prevented almost certainly with drugs of 90% efficacy (or more). Even when a viral infection cannot be prevented, antivirals delay the time to detectable viral loads. The largest delay of viral infection is achieved by drugs reducing viral production in infected cells. A delay of virus infection flattens the within-host viral dynamic curve, possibly reducing transmission and symptom severity. Thus, antiviral prophylaxis, even with reduced efficacy, could be efficiently used to prevent or alleviate infection in people at high risk.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

PAGOSA Mesh Block Calculator

A method for automatically generating the “mesh namelist block” portion of a PAGOSA input file, which specifies the boundaries and zone sizes of the computational mesh, has been developed. This application standardizes the mesh block for 2-, and 3-dimensional problems and is computed after the user specifies the extent and resolution of the mesh and the number of processors which will be used to run the problem. The inputs may be provided directly through a series of command-line guided questions, or a separate input file. The mesh block is written to both standard output and to disk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Separating Nuclear Reactors from the Power Block with Heat Storage: A New Power Plant Design Paradigm

The Massachusetts Institute of Technology (MIT), Idaho National Laboratory (INL) and the Electric Power Research Institute (EPRI) conducted a workshop on Separating Nuclear Reactors from the Power Block with Heat Storage: A New Power Plant Design Paradigm. The workshop was held as three webinars (July 29, August 12 and August 26, 2020). These proceedings include this abstract, an executive summary, the main report and presentations. There are two reasons to consider a new design paradigm. First, the market is changing with (1) the addition of variable wind and solar that results in highly volatile electricity prices and (2) the goal of a low-carbon economy that requires (a) economic dispatchable electricity that is now provided by natural gas turbines in the United States and (b) heat for industry and commerce. Second, nuclear plant requirements have changed in the last 50 years suggesting that a lower-cost plant layout may be to separate the nuclear island from the power block with a clear separation of the nuclear island with nuclear requirements and the power block built to industrial standards.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Replicated Computational Results (RCR) Report for "Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software''

In, a practical implementation of a novel adaptive precision block-Jacobi preconditioner is introduced. In particular, the authors present a heavily-tuned GPU implementation of the adaptive precision block-Jacobi preconditioner within the Ginkgo numerical linear algebra library. The performance of the methodology and implementation is demonstrated using the proposed preconditioning scheme within Ginkgo’s high-performance Conjugate Gradient (CG) implementation on an NVIDIA Volta GPU. In this report, we replicate a subset of the computational results presented in. The focus is generating results from Fig. 9 to evaluate the performance of using Ginkgo’s CG solver integrated with either the full or the adaptive precision block-Jacobi preconditioner applied to a variety of test cases

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Block-Structured Adaptive Mesh Framework to Solve Radiation Transfer Equation in Irregular Embedded Geometries

Radiation transport arises in various scientific, industrial, and medical fields, and understanding its effect in applications is needed to make accurate predictions, safety assessments and performance optimizations. Solving the Radiation Transport Equation (RTE) is challenging due to its integro-differential nature, which involves both differential and integral terms. The differential term describes the change in radiation intensity due to absorption and emission, while the integral term accounts for scattering. The accurate modeling of radiation is further complicated in many applications due to the complex, irregular geometries. Various methods exist for solving the RTE, including the zonal, Monte Carlo, spherical harmonics, discrete ordinates, and finite volume methods. Traditional mesh-based approaches, which rely on structured or unstructured meshes, struggle with irregular geometries due to: a) the difficulty of conforming structured grids to irregular domains, b) challenges in enforcing boundary conditions correctly, and c) the additional computational cost of unstructured mesh methods. This work presents a second-order accurate method for solving the RTE in irregular geometries. The radiation intensity is discretized using the finite-volume method in both spatial and angular directions on regular Cartesian grid blocks. Leveraging the block-structured adaptive mesh refinement (AMR) framework provided by AMReX, our method refines the grid locally to reduce spatial discretization error, ensuring a converged numerical solution while minimizing computational costs elsewhere. A two-stage deferred correction approach is employed: First, a first-order discretization on grid blocks is solved using an algebraic multigrid method in HYPRE. Second, a correction term is applied explicitly to achieve second-order accuracy. The correction term is calculated by approximating the radiation flux on cell faces using a Total Variation Diminishing (TVD) scheme. This approach ensures quick convergence of the multigrid method while preserving higher-order accuracy of the numerical solution. Irregular geometries are resolved as embedded boundaries (EB), resulting in both cut cells and regular cells. In cut cells, we modify the fluxes using face fractions and incorporate additional contributions from EB boundary conditions. To ensure higher-order convergence near the EB interface, the correction term is modified by interpolating the radiation intensity to fictitious ghost points. The implementation takes advantage of modern supercomputers by leveraging AMReX’sMPI/X parallelization strategy where X can be MPI or a GPU accelerator including CUDA, HIP and DPC++. We validate our solver using classical test cases, both with and without EB, demonstrating accuracy and efficiency. Additionally, we analyze the impact of adaptive mesh refinement on solution accuracy and computational cost, highlighting the advantages of our approach for high-resolution radiation transport simulations.

computational fluid dynamics (CFD)↗
DOE OSTI2020

Machining Graphite Specimens from Sub- Blocks for Baseline Characterization

The Advanced Reactor Technologies (ART) Baseline Graphite Characterization program at the Idaho National Laboratory (INL) is performing a comprehensive evaluation of inter-billet variations in as-produced nuclear-grade graphite. To accomplish this, over 500 mechanical test specimens are machined from a single billet. A typical graphite billet is approximately 6 feet long by 2 feet in diameter or 2 ft square and weighs approximately 1500 pounds. Initially the full-size billets are pre-sectioned into sub-blocks that can be easily handled and shipped. In this SOW, 44 pre-labeled sub-blocks will be machined into mechanical test specimens by the supplier. These sub-blocks are supplied and shipped by the purchaser to the supplier.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Register-Like Block RAM: Implementation, Testing in FPGA and Applications for High Energy Physics Trigger Systems

In high energy physics experiment trigger systems, block memories are utilized for various purposes, especially in indexed searching algorithms. It is often demanded to globally reset all memory locations between different events which is a feature not supported in regular block memories. Another common demand is to be able to update the contents in any memory location in a single clock cycle. These two demands can be fulfilled with registers but the cost of using registers for large memory is unaffordable. In this paper, a register-like block memory design scheme is described, which allows updating memory locations in single clock cycle and effectively refreshing entire memory within a single clock. The implementation and test results are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Preliminary Monte Carlo and Thermal Hydraulic Analysis using a Hybrid ETF-Corrected-Diffusion Prediction Block

This paper builds upon previous work to accelerate the Picard iteration (PI) method typically applied for coupled Monte Carlo-Thermal hydraulic (MC-TH) solutions. Previously, the use of the generalized transfer functions (GTFs) to predict variation in macroscopic cross sections following a perturbation in TH properties was demonstrated for a subset of simple 3D problems. In addition, the reduced-order transport prediction block relied on the first order perturbation (FOP) method, which was shown to have computational overheads. Recent work replaced the FOP block with a 1-group nodal diffusion solver to eliminate these overheads. While the use of diffusion is desirable for large-scale problems, the new solver introduces significant homogenization error. This work aims to address this issue by using the Jacobian-Free Newton Krylov (JFNK) method to generate a set of super homogenization (SPH) factors to improve the accuracy of the diffusion solution. The SPH factors will be used in conjunction with an improved cross section prediction method – the expanded transfer function (ETF) method – to produce a highly accurate flux prediction for an axial 1D boiling water reactor (BWR) pincell following a large perturbation in moderator density. The ETF-corrected diffusion (ETF-CD) block is shown to be highly accurate for the 1D test case. Future work will investigate the accuracy of the method for a realistic 3D pressurized water reactor core.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Stripline Block Sensor System

The Long Baseline Neutrino Facility requires a secondary sensor system to aid in the installation and replacement of the stripline blocks. These blocks are responsible for delivering large amounts of current to the horn and must be installed with high precision to avoid possible physical damage. There are many constraints due to the modules' surroundings, such as small clearances and a highly radioactive environment. Existing systems have already been implemented within the process; however, these systems offer limited information, leaving much risk during operations. This calls for a sufficiently accurate sensor system, which has a small space requirement and provides valuable information throughout the replacement period. A variety of methods and technologies were explored to provide an applicable approach to the issue. The proposed solution consisted of the use of retroreflective and target, however, it cannot provide positional feedback throughout the entire process. A proposed alternative utilizes a three-dimensional indoor positioning system to provide the operator with real-time positioning and rotational information. Sensors placed on the module and stripline would communicate with fixed receivers surrounding the target hall to provide precise positional feedback. However, this solution may still contain line-of-sight issues as well as installation complications due to the radioactive environment. Future work would consist of finding vendors capable of providing technology that fits our constraints, proof of concept tests for both solutions, implementation planning, and trials within the target hall itself. Due to its ability to provide continuous positional and rotational feedback, the indoor positioning system is the most suitable solution for accurately installing the stripline block.

Espinoza, David [Unlisted, US]↗
DOE OSTI2022

Register-Like Storage Block Used as Histograms, Cluster Buffers, and Hough Transform Accumulators for HEP Trigger Systems

In high energy physics experiment trigger systems, block memories are utilized for various purposes, especially in binned searching algorithms. In these algorithms, the storages are demanded to perform like a large set of registers. The writing and reading operation must be performed in single clock cycle and once an event is processed, the memory must be globally reset. These demands can be fulfilled with registers but the cost of using registers for large memory is unaffordable. Another common requirement is the boundary coverage feature during reading process. Additionally, when a memory bin is addressed, the stored contents in the addressed bin and its neighboring bin must be output simultaneously. In this paper, a register-like block storage design scheme is described, which allows updating memory locations in single clock cycle, reading two adjacent bins, and effectively refreshing entire memory within a single clock. The implementation and test results are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗