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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Direct evidence of microstructure dependence of magnetic flux trapping in niobium

Abstract Elemental type-II superconducting niobium is the material of choice for superconducting radiofrequency cavities used in modern particle accelerators, light sources, detectors, sensors, and quantum computing architecture. An essential challenge to increasing energy efficiency in rf applications is the power dissipation due to residual magnetic field that is trapped during the cool down process due to incomplete magnetic field expulsion. New SRF cavity processing recipes that use surface doping techniques have significantly increased their cryogenic efficiency. However, the performance of SRF Nb accelerators still shows vulnerability to a trapped magnetic field. In this manuscript, we report the observation of a direct link between flux trapping and incomplete flux expulsion with spatial variations in microstructure within the niobium. Fine-grain recrystallized microstructure with an average grain size of 10–50 µm leads to flux trapping even with a lack of dislocation structures in grain interiors. Larger grain sizes beyond 100–400 µm do not lead to preferential flux trapping, as observed directly by magneto-optical imaging. While local magnetic flux variations imaged by magneto-optics provide clarity on a microstructure level, bulk variations are also indicated by variations in pinning force curves with sequential heat treatment studies. The key results indicate that complete control of the niobium microstructure will help produce higher performance superconducting resonators with reduced rf losses 1 related to the magnetic flux trapping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Modeling Distributed Computing Infrastructures for HEP Applications

Predicting the performance of various infrastructure design options in complex federated infrastructures with computing sites distributed over a wide area network that support a plethora of users and workflows, such as the Worldwide LHC Computing Grid (WLCG), is not trivial. Due to the complexity and size of these infrastructures, it is not feasible to deploy experimental test-beds at large scales merely for the purpose of comparing and evaluating alternate designs. An alternative is to study the behaviours of these systems using simulation. This approach has been used successfully in the past to identify efficient and practical infrastructure designs for High Energy Physics (HEP). A prominent example is the Monarc simulation framework, which was used to study the initial structure of the WLCG. New simulation capabilities are needed to simulate large-scale heterogeneous computing systems with complex networks, data access and caching patterns. A modern tool to simulate HEP workloads that execute on distributed computing infrastructures based on the SimGrid and WRENCH simulation frameworks is outlined. Studies of its accuracy and scalability are presented using HEP as a case-study. Hypothetical adjustments to prevailing computing architectures in HEP are studied providing insights into the dynamics of a part of the WLCG and candidates for improvements.

Horzela, Maximilian↗
DOE OSTI2025

GPU-friendly surface model for Monte-Carlo detector simulations

The demands for Monte-Carlo simulation are drastically increasing with the Large Hadron Collider’s high-luminosity upgrade, and are expected to exceed the currently available compute resources. At the same time, modern high-performance computing has adopted powerful hardware accelerators, particularly GPUs. The AdePT and Celeritas projects aim to address the demanding computational needs by leveraging these heterogeneous computing architectures. While both have successfully ported realistic detector simulations to GPUs using the VecGeom library, the complexity of geometry modeling emerged as a bottleneck. Thread divergence and high register usage were degrading the GPU performance. Therefore, a new, GPU-friendly surface-based model has been introduced in the VecGeom library that decomposes the divergent code of the 3D primitive solids into simpler and more balanced surface algorithms. In this work, we present the latest developments, focusing on the additions required to efficiently model complex setups like the CMS Phase-2 geometry. This includes memory reduction techniques, and adding accelerating structures for faster traversal.

Diederichs, Severin [CERN]↗
DOE OSTI2014

Disentangling phonon and impurity interactions in δ-doped Si(001)

We present a study of the phonon and impurity interactions in a shallow two dimensional electron gas formed in Si(001). A highly conductive ultra-narrow n-type dopant δ-layer, which serves as a platform for quantum computation architecture, is formed and studied by angle resolved photoemission spectroscopy (ARPES) and temperature dependent nanoscale 4-point probe (4PP). The bandstructure of the δ-layer state is both measured and simulated. At 100 K, good agreement is only achieved by including interactions; electron-impurity scattering (W{sub 0} = 56 to 61 meV); and electron-phonon coupling (λ = 0.14 ± 0.04). These results are shown to be consistent with temperature dependent 4PP resistance measurements which indicate that at 100 K, ≈7∕8 of the measured resistance is due to impurity scattering with the remaining 1/8 coming from phonon interactions. In both resistance and bandstructure measurements, the impurity contribution exhibits a variability of ≈9% for nominally identical samples. The combination of ARPES and 4PP affords a thorough insight into the relevant contributions to electrical resistance in reduced dimensionality electronic platforms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

Developed over the past decade, TeraChem is an electronic structure and ab initio molecular dynamics software package designed from the ground up to leverage graphics processing units (GPUs) to perform large-scale ground and excited state quantum chemistry calculations in the gas and the condensed phase. TeraChem’s speed stems from the reformulation of conventional electronic structure theories in terms of a set of individually optimized high-performance electronic structure operations (e.g., Coulomb and exchange matrix builds, one- and two-particle density matrix builds) and rank-reduction techniques (e.g., tensor hypercontraction). Recent efforts have encapsulated these core operations and provided language-agnostic interfaces. Finally, this greatly increases the accessibility and flexibility of TeraChem as a platform to develop new electronic structure methods on GPUs and provides clear optimization targets for emerging parallel computing architectures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Characterizing structural features of two-dimensional particle systems through Voronoi topology

This paper introduces a new approach toward characterizing local structural features of two-dimensional particle systems. The approach can accurately identify and characterize defects in high-temperature crystals, distinguish a wide range of nominally disordered systems, and robustly describe complex structures such as grain boundaries. This paper also introduces two-dimensional functionality into the open-source software program VoroTop which automates this analysis. This software package is built on a recently-introduced multithreaded version of V ORO ++, enabling the analysis of systems with billions of particles on high-performance computer architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Demonstration of OpenMC as a framework for atomic transport and plasma interaction

Modern tooling is demanded for predicting the transport and reaction characteristics of atoms and molecules, especially in the context of magnetic confinement fusion. DEGAS2, among the most common and capable tools currently in use, shares many fundamental similarities with the OpenMC framework, which was primarily developed for neutron and photon transport. In this work, we demonstrate that OpenMC is suitable for atomic transport calculations. The relative error between the models is small, and the performance of OpenMC is at least comparable to DEGAS2. This is the case even without taking advantage of heterogeneous computing architecture, which is only one of the several remarkable new capabilities that this demonstration heralds.

Monte Carlo↗
DOE OSTI2026

Advances in 3D transient plasma dynamics and control through MHD and hybrid fluid-kinetic simulations with JOREK

Transient phenomena and their control are of high relevance in magnetic confinement fusion plasmas to guarantee a stable and safe plasma operation. Interpretative simulations can maximize the insights gained from experiments on present machines and predictive simulations can help in the preparation of design, mitigation techniques and operational scenarios for future devices. In this article, we provide an overview of recent advances and novel scientific results obtained with the 3D non-linear hybrid fluid-kinetic code JOREK, covering physics of plasma transients from the core to the scrape-off layer (SOL) both for tokamak and stellarator devices. Substantial progress was made in the physics understanding, model validation with experiments and experiment interpretation, thus, giving confidence for predictions to devices like DTT, ITER and DEMO. The topics addressed comprise a wide range: the edge physics of new operation scenarios and edge localized mode suppression; major disruptions with a focus on runaway electrons and vertical displacement events as well as disruption mitigation by shattered pellet injection; the physics mechanisms and operational limits of the flux pumping regime for sawtooth control; MHD limits of stellarators and work towards incorporating advanced edge/SOL/exhaust dynamics; continuing improvements of the code for more efficient hybrid simulations on conventional and accelerated high performance computing architectures.

disruptions↗
DOE OSTI2016

A new ATLAS muon CSC readout system with system on chip technology on ATCA platform

The ATLAS muon Cathode Strip Chamber (CSC) backend readout system has been upgraded during the LHC 2013-2015 shutdown to be able to handle the higher Level-1 trigger rate of 100 kHz and the higher occupancy at Run-2 luminosity. The readout design is based on the Reconfigurable Cluster Element (RCE) concept for high bandwidth generic DAQ implemented on the Advanced Telecommunication Computing Architecture (ATCA) platform. The RCE design is based on the new System on Chip XILINX ZYNQ series with a processor-centric architecture with ARM processor embedded in FPGA fabric and high speed I/O resources. Together with auxiliary memories, all of these components form a versatile DAQ building block that can host applications tapping into both software and firmware resources. The Cluster on Board (COB) ATCA carrier hosts RCE mezzanines and an embedded Fulcrum network switch to form an online DAQ processing cluster. More compact firmware solutions on the ZYNQ for high speed input and output fiberoptic links and TTC allowed the full system of 320 input links from the 32 chambers to be processed by 6 COBs in one ATCA shelf. The full system was installed in September 2014. In conclusion, we will present the RCE/COB design concept, the firmware and software processing architecture, and the experience from the intense commissioning for LHC Run 2.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

CMS phase-2 DAQ and timing hub prototyping results and perspectives

This paper describes recent progress on the design of the DAQ and Timing Hub, or DTH, an ATCA (Advanced Telecommunications Computing Architecture) hub board intended for the phase-2 upgrade of the CMS experiment. Prototyping was originally divided into multiple feature lines, spanning all different aspects of the DTH functionality. The second DTH prototype merges all R&D and prototyping lines into a single board, which is intended to be the production candidate. Emphasis is on the process and experience in going from the first to the second DTH prototype, which included a change of the chosen FPGA as well as the integration of a commercial networking solution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Mitigating cosmic-ray-like correlated events with a modular quantum processor

Quantum processors based on superconducting qubits are being scaled to larger qubit numbers, enabling the implementation of small-scale quantum error-correction codes. However, catastrophic chip-scale correlated errors have been observed in these processors, attributed to, e.g., cosmic ray impacts, which challenge conventional error-correction codes such as the surface code. These events are characterized by a temporary but pronounced suppression of the qubit-energy relaxation times. Here, in this study, we explore the potential for modular quantum computing architectures to mitigate such correlated energy decay events. We measure cosmic-ray-like events in a quantum processor comprising a motherboard and two flip-chip bonded daughterboard modules, each module containing two superconducting qubits. We monitor the appearance of correlated qubit decay events within a single module and across the physically separated modules. We find that while decay events within one module are strongly correlated (over 85%), events in separate modules only display approximately 2% correlations. We also report coincident decay events in the motherboard and in either of the two daughterboard modules, providing further insight into the nature of these decay events. These results suggest that modular architectures, combined with bespoke errorcorrection codes, offer a promising approach for protecting future quantum processors from chip-scale correlated errors.

Wu, Xuntao [Univ. of Chicago, IL (United States)] ↗
DOE OSTI2025

Stabilization of magnetic bubbles in [Ni/Co]n multilayers on an oxygen-reconstructed Nb(110) surface via an ultra-thin Cu interlayer

Magnetic thin films hosting topological spin textures, such as magnetic skyrmions, hold high potential for breakthroughs in the field of spintronics, due to good scalability and energy efficiency. Novel computational architectures such as memory-in-logic devices rely on material platforms able to host those topological spin textures. Furthermore, recently proposed designs of novel quantum information technologies are based on heterostructures where topological spin textures are in direct proximity to a superconducting layer. Here, we demonstrate the stabilization of out-of-plane magnetic bubbles in highly ordered [Ni/Co]n multilayers on a Nb(110) single crystal. This is achieved without the need for the removal of the well-known Nb(110)-oxide surface reconstruction, due to the introduction of an ultra-thin Cu interlayer in between the Nb substrate and the magnetic multilayer. The Cu interlayer generates a well-ordered hexagonal surface, which is key for the epitaxial growth of the [Ni/Co]n multilayers hosting the desired out-of-plane anisotropy. The magnetic ground state of the prepared material stacks is directly imaged via spin-polarized low-energy electron microscopy, revealing the presence of magnetic bubble domains with lateral sizes as small as 450 nm.

Dibajeh, Ahmad↗
DOE OSTI2026

Scattering phase shift in quantum mechanics on quantum computers

Here, we investigate the feasibility of extracting infinite volume scattering phase shift on quantum computers in a simple one-dimensional quantum mechanical model, using the formalism established in the work by Guo and Gasparian [Phys. Rev. D 108, 074504 (2023)] that relates the integrated correlation functions for a trapped system to the infinite volume scattering phase shifts through a weighted integral. The system is first discretized in a finite box with periodic boundary conditions, and the formalism in real time is verified by employing a contact interaction potential with exact solutions. Quantum circuits are then designed and constructed to implement the formalism on current quantum computing architectures. To overcome the fast oscillatory behavior of the integrated correlation functions in real-time simulation, different methods of postdata analysis are proposed and discussed. Test results on IBM hardware show that good agreement can be achieved with two qubits, but complete failure ensues with three qubits due to two-qubit gate operation errors and thermal relaxation errors.

Guo, Peng [Dakota State Univ., Madison, SD (United↗
DOE OSTI2024

Fast ground-state-to-ground-state separation of small ion crystals

Rapid separation of linear crystals of trapped ions into different subsets is critical for realizing trapped ion quantum computing architectures where ions are rearranged in trap arrays to achieve all-to-all connectivity between qubits. Here we introduce a general theoretical framework that can be used to describe the separation of same-species and mixed-species crystals into smaller subsets. The framework relies on an efficient description of the evolution of Gaussian motional states under quadratic Hamiltonians that only requires a special solution of the classical equations of motion of the ions to describe their quantum evolution under the influence of a time-dependent applied potential and the ions' mutual Coulomb repulsion. We provide time-dependent applied potentials suitable for separation of a mixed-species three-ion crystal on timescales similar to that of free expansion driven by Coulomb repulsion, with all modes along the crystal axis starting and ending close to their ground states. Three separately confined mixed-species ions can be combined into a crystal held in a single well without energy gain by time-reversal of this separation process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Motional Squeezing for Trapped Ion Transport and Separation

Transport, separation, and merging of trapped ion crystals are essential operations for most large-scale quantum computing architectures. In this Letter, we develop a theoretical framework that describes the dynamics of ions in time-varying potentials with a motional squeeze operator, followed by a motional displacement operator. Using this framework, we develop a new, general protocol for trapped ion transport, separation, and merging. We show that motional squeezing can prepare an ion wave packet to enable transfer from the ground state of one trapping potential to another. Here, the framework and protocol are applicable if the potential is harmonic over the extent of the ion wave packets at all times. As illustrations, we discuss two specific operations: changing the strength of the confining potential for a single ion and separating same-species ions with their mutual Coulomb force. Both of these operations are, ideally, free of residual motional excitation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Superconducting Qubits above 20 GHz Operating over 200 mK

Current state-of-the-art superconducting microwave qubits are cooled to extremely low temperatures to avoid sources of decoherence. Higher qubit operating temperatures would significantly increase the cooling power available, which is desirable for scaling up the number of qubits in quantum computing architectures and integrating qubits in experiments requiring increased heat dissipation. To operate superconducting qubits at higher temperatures, it is necessary to address both quasiparticle decoherence (which becomes significant for aluminum junctions above 160 mK) and dephasing from thermal microwave photons (which are problematic above 50 mK). Using low-loss niobium-trilayer junctions, which have reduced sensitivity to quasiparticles due to the higher superconducting transition temperature of niobium, we fabricate transmons with higher frequencies than previously studied, up to 24 GHz. We measure decoherence and dephasing times of about 1 μs, corresponding to average qubit quality factors of approximately 10 5 , and find that decoherence is unaffected by quasiparticles up to 1 K. Without relaxation from quasiparticles, we are able to explore dephasing from purely thermal sources, finding that our qubits can operate up to approximately 250 mK while maintaining similar performance. The thermal resilience of these qubits creates new options for scaling up quantum processors, enables hybrid quantum experiments with high heat-dissipation budgets, and introduces a material platform for even-higher-frequency qubits.

Josephson junctions↗
DOE OSTI2021

IRIS: A Portable Runtime System Exploiting Multiple Heterogeneous Programming Systems

Across embedded, mobile, enterprise, and HPC systems, computer architectures are becoming more heterogeneous and complex. This complexity is causing a crisis in programming systems and performance portability. Several programming systems are working to address these challenges, but the increasing architectural diversity is forcing software stacks and applications to specialize for each architecture. As we show, all of these approaches critically depend on their runtime system for discovery, execution, scheduling, and data orchestration. To address this challenge, we believe that a more agile and proactive runtime system is essential to increase performance portability and improve user productivity. In this regard, we have designed and implemented IRIS: a portable runtime system exploiting multiple heterogeneous programming systems. IRIS can discover available resources, manage multiple diverse programming systems (e.g., CUDA, Hexagon, HIP, Level Zero, OpenCL, OpenMP) simultaneously in the same execution, respect data dependencies, orchestrate data movement proactively, and provide for user-configurable scheduling. Our evaluation on three architectures, ranging from Qualcomm Snapdragon to a Summit supercomputer node, shows that IRIS improves portability across a wide range of diverse heterogeneous architectures with negligible overhead.

Kim, Jungwon↗