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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Solving the Bernstein-Vazirani problem using Majorana-based topological quantum algorithms

Executing quantum algorithms using Majorana zero modes—a major milestone for the field of topological quantum computing—requires a platform that can be scaled to large quantum registers, can be controlled in real time and space, and a braiding protocol that uses the unique properties of these exotic particles. Here, we demonstrate the first successful simulation of a Majorana-based, fault-tolerant quantum algorithm to solve the Bernstein-Vazirani problem in two-dimensional magnet-superconductor hybrid structures from initialization to read-out of the final many-body state. Utilizing the Majorana zero modes’ topological properties, we introduce an optimized braiding protocol for the algorithm and a scalable architecture for its implementation with an arbitrary number of qubits. We visualize the algorithm protocol in real time and space by computing the non-equilibrium density of states, which is proportional to the time-dependent differential conductance, and the non-equilibrium charge density, which assigns a unique signature to each final state of the algorithm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Comparing quantum annealing and spiking neuromorphic computing for sampling binary sparse coding QUBO problems

We consider the problem of computing a sparse binary representation of an image. Given an image and an overcomplete, non-orthonormal basis, we aim to find a sparse binary vector indicating the minimal set of basis vectors that when added together best reconstruct the given input. We formulate this problem with an L 2 loss on the reconstruction error, and an L 0 loss on the binary vector enforcing sparsity. First, we solve the sparse representation QUBOs by solving them both on a D-Wave quantum annealer with Pegasus chip connectivity, as well as on the Intel Loihi 2 spiking neuromorphic processor using a stochastic Non-equilibrium Boltzmann Machine (NEBM). Second, using Quantum Evolution Monte Carlo with Reverse Annealing and iterated warm starting on Loihi 2 to evolve the solution quality from the respective machines. We demonstrate that both quantum annealing and neuromorphic computing are suitable for solving binary sparse coding QUBOs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Expanded Capabilities and Opportunities for Virtual Beamline Code

In the 25 years since LLNL broke ground on the National Ignition Facility (NIF) - a cornerstone of the National Nuclear Security Administration’s Stockpile Stewardship Program - the NIF and Photon Science (NIF&PS) Directorate has steadily pushed the boundaries of laser physics, nonlinear optics, and photonics in service of inertial confinement fusion experiments, and advanced photon sources development. Beyond the 192 beamlines of the primary laser facility with its world-record energy and fusion yields, NIF&PS capabilities have expanded to include chirped-pulse amplification, kilojoule petawatt-class short-pulse systems to generate hard x-ray radiographic probes, high-average power lasers as secondary sources for generation or wake field particle acceleration along directed energy applications, and other scientific pursuits. The Computing Directorate partners with NIF&PS on numerous projects and technologies from diagnostic measurements and high performance control systems to data analysis, information technology infrastructure, and scientific simulation code development. “This strong collaboration enables cutting-edge science, particularly with regard to physics-based modeling and simulation,” says physicist Jean-Michel Di Nicola. One crucial capability for NIF&PS is the Virtual Beamline (VBL) laser simulation code. It can model all the major laser physics and technology involved in the design optimization, commissioning, and operations of advanced laser architectures from tabletop to NIF-scale. VBL provides researchers with high-fidelity models and high-resolution calculations of laser performance predictions—including for the entire NIF laser system, the Advanced Radiographic Capability, parts of the High Repetition-Rate Advanced Petawatt Laser System laser delivered to the Czech Republic, and the Optical Science Laser. After more than two decades of experimentally verified physics and computing enhancements, this unique workhorse code is wrapping up another major milestone: migration from Java to C++ with a flurry of user interface and optimization features, as well as laser physics and high-resolution enhancements thanks to parallel execution on Livermore Computing platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

SU(2) non-Abelian gauge field theory in one dimension on digital quantum computers

A dynamical quantum simulation of SU(2) non-Abelian gauge field theory on a digital quantum computer is presented here. This was enabled on current quantum hardware by introducing a mapping of the field onto a register of qubits that utilizes local gauge symmetry while preserving local constraints on the fields, reducing the dimensionality of the calculation. Controlled plaquette operators and gauge-variant completions in the unphysical part of the Hilbert space were designed and used to implement time evolution. The new techniques developed in this work generalize to quantum simulations of higher dimensional gauge field theories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

A Specification for a Godunov-type Eulerian 2-D Hydrocode, Revision 0

The purpose of this code specification is to describe an algorithm for solving the Euler equations of hydrodynamics in a 2D rectangular region in sufficient detail to allow a software developer to produce an implementation on their target platform using their programming language of choice without requiring detailed knowledge and experience in the field of computational fluid dynamics. It should be possible for a software developer who is proficient in the programming language of choice and is knowledgable of the target hardware to produce an efficient implementation of this specification if they also possess a thorough working knowledge of parallel programming and have some experience in scientific programming using fields and meshes. On modern architectures, it will be important to focus on issues related to the exploitation of the fine grain parallelism and data locality present in this algorithm. This specification aims to make that task easier by presenting the essential details of the algorithm in a systematic and language neutral manner while also avoiding the inclusion of implementation details that would likely be specific to a particular type of programming paradigm or platform architecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

First Principle Investigation of Electronic, Transport, and Bulk Properties of Zinc-Blende Magnesium Sulfide

We have studied electronic, structural, and transport properties of zinc-blende magnesium sulfide (zb-MgS). We employed a local density approximation (LDA) potential and the linear combination of atomic orbitals (LCAO) method. Our computational method is able to reach the ground state of a material, as dictated by the second theorem of density functional theory (DFT). Consequently, our findings have the physical content of DFT and agree with available, corresponding experimental ones. The calculated band gap of zb-MgS, a direct gap equal to 4.43 eV, obtained at the experimental lattice constant of 5.620 Å, completely agrees with the experimental band gap of 4.45 ± 0.2 eV. We also report total (DOS) and partial (pDOS) densities of states, electron and hole effective masses, the equilibrium lattice constant, and the bulk modulus. The calculated pDOS also agree with the experiment for the description of the states at the top and the bottom of the valence and conduction bands, respectively.

42 ENGINEERING↗
DOE OSTI2012

Laboratory Directed Research and Development Annual Report, Fiscal Year 2011

This report documents progress made on all LDRD-funded projects during fiscal year 2011. The following topics are discussed: (1) Advanced sensors and instrumentation; (2) Biological Sciences; (3) Chemistry; (4) Earth and space sciences; (5) Energy supply and use; (6) Engineering and manufacturing processes; (7) Materials science and technology; (8) Mathematics and computing sciences; (9) Nuclear science and engineering; and (10) Physics.

09 BIOMASS FUELS↗
DOE OSTI2011

Laboratory Directed Research and Development FY2010 Annual Report

A premier applied-science laboratory, Lawrence Livermore National Laboratory (LLNL) has at its core a primary national security mission - to ensure the safety, security, and reliability of the nation's nuclear weapons stockpile without nuclear testing, and to prevent and counter the spread and use of weapons of mass destruction: nuclear, chemical, and biological. The Laboratory uses the scientific and engineering expertise and facilities developed for its primary mission to pursue advanced technologies to meet other important national security needs - homeland defense, military operations, and missile defense, for example - that evolve in response to emerging threats. For broader national needs, LLNL executes programs in energy security, climate change and long-term energy needs, environmental assessment and management, bioscience and technology to improve human health, and for breakthroughs in fundamental science and technology. With this multidisciplinary expertise, the Laboratory serves as a science and technology resource to the U.S. government and as a partner with industry and academia. This annual report discusses the following topics: (1) Advanced Sensors and Instrumentation; (2) Biological Sciences; (3) Chemistry; (4) Earth and Space Sciences; (5) Energy Supply and Use; (6) Engineering and Manufacturing Processes; (7) Materials Science and Technology; Mathematics and Computing Science; (8) Nuclear Science and Engineering; and (9) Physics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Image Distinguishability Analysis Testing Through Principal Components and Its Application to Hot Spot Scale Invariance

Hot spots are spatial regions of intense energy localization that govern initiation of secondary high explosives. Studies that characterize or compare simulated hot spots are frequently either qualitatively descriptive or resort to quantitative distribution functions that neglect stochastic variations and spatial correlations—effects that are also neglected in common comparison tests like the Kolmogorov–Smirnov test. To this end, we develop an image distinguishability analysis (IDA) test based on principal component (PC) analysis that makes pixel-by-pixel comparisons between small, for example, O(<10), image data sets. The IDA test makes comparisons through a generalized distance metric in the PC space and a test statistic that is derived to calculate mathematical equation-values. Here, we derive a statistical distribution and criticality criterion to determine whether images are distinguishable from established baselines. We apply the IDA test on images generated from molecular dynamics simulations of hot spots from pore collapse in TATB to assess scale invariance in the complex patterns of hot spots that form in a representative high explosive crystal. The IDA test shows that TATB hot spot spatial temperature fields and their derived temperature histograms exhibit scale-invariant features over specific intervals of shock orientation, strength, and initial pore diameter. However, the IDA test also shows that qualitatively different conclusions regarding invariance can be reached depending on whether the hot spot is treated as a spatially correlated field as opposed to a distribution function that lacks spatial information.

organic↗
DOE OSTI2012

US/Russian Cooperative Program in Science and Technology

Developing a sophisticated theory to understand the electronic structure of 5f-metals is a great challenge to solid-state physics. Complicated electronic structures of 5f metals make their properties strongly sensitive to small energy changes produced by the addition of a small amount of alloy, impurities, or crystal structure defects caused by irradiation. A theoretical material science technique applicable to investigate these effects is atomistic simulation using Classical Molecular Dynamics (CMD). In contrast to ab initio techniques, CMD may include several million particles, so that there is a possibility of direct simulation of very low concentration impurities and defects (as well as phenomena such as plasticity and polymorphous transitions) under given conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Physical Sciences Vistas: Perspectives on Excellence in Mission-Focused Science, Technology, and Engineering at Los Alamos Laboratory (Issue 1, 2020)

This is the first 2020 issue of Physical Sciences Vistas, with a focus on “excellence in mission-focused science, technology, and engineering.” Excellence in mission-focused ST&E comprises one of the four elements of the Laboratory Agenda, focusing on sustaining and enhancing LANL’s science base. This issue highlights the diverse efforts of personnel in our Physical Sciences Directorate (ALDPS) to enhance science, technology, and engineering at the Laboratory. As we reflect on work at the Laboratory, mostly from our homes due to COVID-19, it is gratifying to see the important, diverse contributions to ST&E across ALDPS.

36 MATERIALS SCIENCE↗