Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Accelerators”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hydrodynamic modeling of plasma channel systems for laser plasma accelerators

Structured plasma channels are an essential technology for driving high-gradient, plasma-based acceleration and control of electron and positron beams for advanced concepts accelerators. Laser and gas technologies can permit the generation of long plasma columns known as hydrodynamic, optically-field-ionized (HOFI) channels, which feature low on-axis densities and steep walls. By carefully selecting the background gas and laser properties, one can generate narrow, tunable plasma channels for guiding high intensity laser pulses. Here, we present on the development of simulations of HOFI channels using the FLASH code, a publicly available radiation hydrodynamics code. We explore sensitivities of the channel evolution to laser profile, intensity, and background gas conditions, and identify relevant scalings with laser intensity through a range of practical channel delays.

Accelerators↗
DOE OSTI2025

Tau tridents at accelerator neutrino facilities

We present the first detailed study of Standard Model neutrino tridents involving tau leptons at the near detectors of accelerator neutrino facilities. The rates of these processes were previously thought to be negligible, even at future facilities. Our full 2 → 4 calculation, including both coherent and incoherent scatterings, reveals that the DUNE near detector could observe a considerable number of tau tridents—an important background to new physics searches. We identify promising kinematic features that may allow distinction of tau tridents from the usual neutrino charged-current background at DUNE, and thus establish the observation of tau tridents for the first time. We also comment on the detection prospects at other accelerator and collider neutrino experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Ultrabroad-band x-ray source using a picosecond, laser-driven plasma accelerator

An ultrabroad-band x-ray source, with photon energies from 10 keV to >1 MeV, based on a picosecond laser-driven plasma accelerator, is characterized and used to radiograph high-energy-density-science relevant targets. The measured yield of 10 12 photons/shot is reaching the necessary photon yields to radiograph, in a single shot, high areal density objects and matter under extreme conditions. By focusing a short laser pulse (120 J, 1 ps) into a gas jet, a < 100 mrad electron beam with energies up to 350 MeV and up to 70 nC of charge was produced by a combination of laser self-modulation instability and direct laser acceleration. A foil placed at the exit of the gas jet is used to convert part of the electron beam energy into x rays through inverse bremsstrahlung and/or inverse Compton scattering, generating a bright, broad-band, high-photon-energy beam. This beam is used to radiograph a gold half hohlraum with a high-density sphere inside with relevant characteristics for high-energy-density science and inertial confinement fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Towards continual machine learning for particle accelerators

This talk covers our work on errant beam prognostics at the Spallation Neutron Source (SNS), focusing on the end-to-end process from data collection to the development and deployment of predictive models in specific. A short overview of AIML work done for accelerators and current trends will be presented. We will walk through key steps involved in creating robust Machine Learning (ML) models, including model training, validation, and deployment in an operational setting. In addition to presenting our technical approach, we will share valuable lessons learned, emphasizing the importance of infrastructure to support the continuous adaptation of models to evolving data and system behaviors. This talk will provide insights into the challenges and solutions involved in applying ML to real-world operational environments, with a particular focus on managing data drift and changes in accelerator setup while ensuring model resilience over time.

Accelerator Physics↗
DOE OSTI2024

VAN-DAMME: GPU-accelerated and symmetry-assisted quantum optimal control of multi-qubit systems

We present an open-source software package, VAN-DAMME (Versatile Approaches to Numerically Design, Accelerate, and Manipulate Magnetic Excitations), for massively-parallelized quantum optimal control (QOC) calculations of multi-qubit systems. To enable large QOC calculations, the VAN-DAMME software package utilizes symmetry-based techniques with custom GPU-enhanced algorithms. This combined approach allows for the simultaneous computation of hundreds of matrix exponential propagators that efficiently leverage the intra-GPU parallelism found in high-performance GPUs. In addition, to maximize the computational efficiency of the VAN-DAMME code, we carried out several extensive tests on data layout, computational complexity, memory requirements, and performance. These extensive analyses allowed us to develop computationally efficient approaches for evaluating complex-valued matrix exponential propagators based on Padé approximants. To assess the computational performance of our GPU-accelerated VAN-DAMME code, we carried out QOC calculations of systems containing 10 - 15 qubits, which showed that our GPU implementation is 18.4× faster than the corresponding CPU implementation. Our GPU-accelerated enhancements allow efficient calculations of multi-qubit systems, which can be used for the efficient implementation of QOC applications across multiple domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Accelerating high-order continuum kinetic plasma simulations using multiple GPUs

Kinetic plasma simulations solve the Vlasov-Poisson or Vlasov-Maxwell equations to evolve scalar-variable distribution functions in position-velocity phase space and vector-variable electromagnetic fields in configuration space. The immense computational cost of evolving high-dimensional variables, and their large number of degrees of freedom, often limits the utility of continuum kinetic simulations and presents a challenge when it comes to accurately simulating real-world physical phenomena. To address this challenge, we present techniques that accelerate and minimize the computational work required for a scalable Vlasov-Poisson solver. We show theoretical hardware compute and communication bounds for solving a fourth-order finite-volume Vlasov-Poisson system. These bounds are then used to inform and evaluate the design of performance portable algorithms for a multiple graphics processing unit (GPU) accelerated version of the Vlasov-Poisson solver VCK-CPU [1]. We demonstrate that the multi-GPU Vlasov solver implementation, VCK-GPU, simultaneously minimizes required inter-process data transfer while also being bounded by the machine network performance limits. This results in an overall strong scaling speedup per timestep of up to 40x in three-dimensional phase space (one position, two velocity coordinates) and 54x in four dimensional phase space (two position, two velocity coordinates) and a 341x increase in simulation throughput of the GPU accelerated code over the existing CPU code. The GPU code is also able to weak scale up to 256 compute nodes and 1024 GPUs. In conclusion, we demonstrate that the improved compute performance enables exploring configurations which were previously computationally infeasible, including resolving fine-scale distribution function filamentation and multi-species dynamics with realistic electron-proton mass ratios.

Continuum kinetics↗
DOE OSTI2025

Accelerating nuclear-integrated data center pursuits in the USA: SWOT analysis, power-thermal management strategies and demonstration plan

Here, this study explores the increasing interest in leveraging nuclear power to meet the escalating energy demands of data centers in the United States (U.S.) by focusing on key factors that contribute to accelerated deployment. The study highlights the importance of N+1/N+2 power supplies (where N is the required number of units), outlines research and innovations in nuclear-integrated data center thermal management and demonstration plan. It also provides updates about status and costing of various reactor system designs. A summarized strengths, weaknesses, opportunities, and threats (SWOT) analysis shows the potential options for grid connectivity, reactors, and site selection. Suitable site discussions consider land and water availability, grid access, and optical fiber connectivity, and the study presents graded prospects for Department of Energy (DOE) sites with a specific example. Community engagement and partnerships are emphasized, particularly the roles of local government, federal agencies, utilities, and data center industry partners, which are crucial for accelerating deployment, business outreach, and approvals. The study provides actionable insights for stakeholders to accelerate the deployment of nuclear-powered data centers.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2025

Acceleration of the particle-in-cell code Osiris with graphics processing units

Fully relativistic particle-in-cell (PIC) simulations are crucial for advancing our knowledge of plasma physics. Modern supercomputers based on graphics processing units (GPUs) offer the potential to perform PIC simulations of unprecedented scale, but require robust and feature-rich codes that can fully leverage their computational resources. In this work, this demand is addressed by adding GPU acceleration to the PIC code Osiris. An overview of the algorithm, which features a CUDA extension to the underlying Fortran architecture, is given. Detailed performance benchmarks for thermal plasmas are presented, which demonstrate excellent weak scaling on NERSC's Perlmutter supercomputer and high levels of absolute performance. The robustness of the code to model a variety of physical systems is demonstrated via simulations of Weibel filamentation and laser-wakefield acceleration run with dynamic load balancing. Finally, measurements and analysis of energy consumption are provided that indicate that the GPU algorithm is up to ~14 times faster and ~7 times more energy efficient than the optimized CPU algorithm on a node-to-node basis. The described development addresses the PIC simulation community's computational demands both by contributing a robust and performant GPU-accelerated PIC code and by providing insight into efficient use of GPU hardware.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework

We introduce the first version of GPU4P Y SCF, a module that provides GPU acceleration of methods in P Y SCF. As a core functionality, this provides a GPU implementation of two-electron repulsion integrals (ERIs) for contracted basis sets comprising up to g functions using the Rys quadrature. As an illustration of how this can accelerate a quantum chemistry workflow, we describe how to use the ERIs efficiently in the integral-direct Hartree–Fock build and nuclear gradient construction. Benchmark calculations show a significant speedup of 2 orders of magnitude with respect to the multithreaded CPU Hartree–Fock code of P Y SCF and the performance comparable to other open-source GPU-accelerated quantum chemical packages, including GAMESS and QUICK, on a single NVIDIA A100 GPU.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Mechanically Accelerated Depolymerization of Entangled Linear Polymer Melts

Mechanical forces can enhance the chemical depolymerization of synthetic polymers when shear flow accelerates chain scission. To quantify the extent of mechanically-accelerated scission, the effect of simple shear flow (duration and strength) with low Weissenberg and Deborah numbers was investigated by considering the impact of applied work in both simple shear and shear dominated mixed flows. Hydrogenated polyisoprene was chosen as a model linear, entangled system. The conditions (strain amplitude, frequency, and shearing time) necessary to increase chain scission were assessed in the rubbery melt. Shear flow accelerated chain scission at higher temperatures, suggesting an activated process. Isothermal scission versus work curves were superposed by applying shift factors a T,S , whose Arrhenius-like temperature dependence gave an apparent activation energy for chain scission of ~ 110 kJ/mol, which is likely a combination of the activation energy of viscosity and bond energy. This work provides a base for quantifying the impact of shear on depolymerization of polymer melts and highlight the connection between viscous dissipation and scission chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Stable and tunable MeV $$\gamma$$-ray generation via dual-laser inverse Thomson scattering from a laser-plasma accelerator

Abstract Inverse Thomson scattering from laser-plasma accelerators offers a pathway to compact, tunable MeV $$\gamma$$ -ray sources for reduced-dose radiography and enhanced performance in nuclear resonance fluorescence (NRF)-based isotope identification. However, photon yield and spectral quality are often limited by constraints on interaction geometry and scatter-laser tunability. Here we demonstrate a MeV $$\gamma$$ -ray source based on a dual-laser inverse Thomson scattering configuration driven by a 100-TW laser-plasma accelerator. Electron beams tunable from 122 to 204 MeV with $$<5$$ mrad divergence and $$<1$$ mrad pointing stability generate $$\gamma$$ rays with peak energies from 276 keV to 1.2 MeV and yields up to $$2\times 10^{7}$$ photons per shot. By independently controlling the interaction position and the scatter-pulse duration, we experimentally match the scatter pulse to the walk-off-limited interaction length. Extending the scatter pulse to 200 fs increases photon production by approximately $$15\%$$ while maintaining operation in the linear Thomson regime, thereby preserving narrow spectral bandwidth and controlled radiation divergence. Radiographic characterization demonstrates MeV-level penetration and $$\approx 0.1$$ mm spatial resolution, while stable operation is sustained over multi-hour timescales across multiple days. These results show that interaction-length optimization provides a scalable strategy for improving photon yield, spectral control, and operational stability in compact laser-plasma-accelerator-driven $$\gamma$$ -ray sources.

Tsai, Hai-En↗
DOE OSTI2025

Enhanced reactivity at the oil–water interface accelerates the synthesis of zymonic acid in microemulsions

Chemical reactions in microscale compartments, such as aerosols and emulsions, can exhibit significantly faster reaction rates relative to macroscale containers. This enhancement in chemistry is often due to the elevated importance of surfaces as reaction vessels are reduced to picoliter volumes. While most studies have focused on the air-water interface of droplets, there are comparably fewer studies of reactions in micron-scale aqueous solutions encapsulated by oil. Here we investigate the condensation reaction of pyruvic acid (PA) to form zymonic acid (ZA) and water. Using microfluidics and optical trapping, chemical kinetics are measured in monodisperse micron-sized emulsion droplets in situ via Raman spectroscopy. Relative to a macroscopic bulk solution, which exhibits little to no reaction over many days, we find efficient production of ZA over the same time period. A kinetic model is developed to elucidate the role of the interface in accelerating the microdroplet reaction kinetics. After quantifying the surface partitioning of PA from interfacial tension measurements, the rate coefficient for the condensation reaction at the oil-water interface is determined to be 1.8 × 10-2 M-1 s-1. This rate coefficient is estimated to be 105 larger than the reaction rate in bulk aqueous solutions. Compared to previous studies of accelerated ZA formation at the air-water interface on nanodroplets, we find that the reaction at the oil-water interface is 20 times more efficient. Despite this difference, the overall ZA formation rate in emulsions is significantly slower than in the same-sized aerosols, which arises from the weaker partitioning of PA to the oil-aqueous relative to air-water interface. These results highlight the interplay between interfacial partitioning and reactivity in accelerating chemistry in microcompartments and provides new insights into how interfacial composition influences condensation reactions.

Wallace, Brandon J↗
DOE OSTI2024

Quasi-monoenergetic ion acceleration and neutron generation from laser-driven transverse collisionless shocks

Experiments using the OMEGA EP laser system were performed to study collisionless shock acceleration of ions driven by the interaction of a relativistically intense laser pulse with underdense plasma. The energy spectrum of accelerated ions in the direction transverse to laser propagation is measured to have several narrow-band peaks which are quasi-monoenergetic with a typical energy bandwidth of 3%. In deuterium plasmas, these ions generate a significant number of fast fusion neutrons. Particle-in-cell simulations confirm that these ions were accelerated by the interaction of transverse shocks and that the appearance of quasi-monoenergetic spectral features depends on the growth of an ion-electron two-stream instability during the interaction.

Kordell, P. (ORCID:0000000321456317)↗
DOE OSTI2024

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications

Here, the increasing availability of graphics processing units (GPUs) for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. However, the complexity of integral kernels for high angular momentum basis functions often limits the utility of GPU implementations with large basis sets or for metal containing systems. In this work, we report the implementation of f function support in the GPU-accelerated TeraChem software package through the development of efficient kernels for the evaluation of Hamiltonian integrals. The high efficiency of the resulting code is demonstrated through density functional theory (DFT) calculations on increasingly large organic molecules and transition metal complexes, as well as coupled cluster singles and doubles calculations on water clusters. Preliminary investigations into Ni(I) catalysis with DFT and the photochemistry of MnH(CH 3 ) with complete active space self-consistent field are also carried out. Overall, our GPU-accelerated software appears to be well-suited for fast simulation of large transition metal containing systems, as well as organic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Machine learning-accelerated path integral molecular dynamics simulations of reactive organic electrolytes

Hydrogen bonded electrolytes that exhibit accelerated proton transport via sequential reactive hops have drawn interest for their promise in clean energy applications. Molecular dynamics simulations of these electrolytes offer the opportunity to uncover microscopic mechanistic details that could be used to design and tune the properties of candidate electrolyte technologies. However, accurately modeling the proton transfer reactions and transport properties that give rise to high charge conductivites in these electrolytes proves computationally challenging because of the need to perform lengthy condensed phase simulations, treating both the electronic and nuclear degrees of freedom quantum mechanically. In this paper, we demonstrate that such a modeling task can be efficiently achieved with the use of density functional theory (DFT)-trained machine learning potentials (MLP) to accelerate path integral molecular dynamics (PIMD) simulations. We highlight the practical utility of this approach by using it to benchmark how closely PIMD simulations employing different DFT exchange–correlation functionals reproduce the composition-dependent densities, diffusion coefficients, and electrical conductivities of mixtures consisting of imidazole and levulinic acid. Even with the speedup afforded by our MLPs, PIMD simulations remain quite expensive. Furthermore, in order to render PIMD more computationally tractable, we introduce and benchmark the accuracy of a ring polymer contraction approach that leverages a computationally efficient short-range MLP to accelerate our PIMD simulations by an additional factor of four.

Chemical bonding↗
DOE OSTI2026

Focusing of laser-accelerated ions with spherically curved targets

A theoretical model for laser-accelerated ion focusing from spherically curved targets using a Gaussian self-similar solution is presented. This model describes the evolution of the focal location and focal radius with final ion energy and the initial radial boundary of the ions, the latter being a function of both target geometry and the ion acceleration radius for a given ion energy. The theory is supported by particle-in-cell simulations of a variety of target shapes with varying radii of curvature and target opening angles, as well as variations in the injected electron beam radius and energy spectrum. The theory and simulations suggest that the focal location varies linearly with the radius of curvature, with the square root of the ratio of ion energy to effective electron temperature, and monotonically increases with the energy-dependent ratio of the initial ion radial boundary to the radius of curvature. Considering ponderomotive acceleration, this suggests that the focal length should scale inversely with intensity, $(I_Lλ_L^2)$ −1/4 , suggesting a 10× increase in intensity will reduce the focal distance by ̃1.8× for a given ion energy.

Physics - Plasma physics↗
DOE OSTI2026

Nozzle geometry optimization for high-current aluminum ion beam acceleration via direct plasma injection scheme

We report the generation of a record aluminum ion beam current exceeding 58 mA at the Al 11+ charge state, accelerated to an energy of 5.5 MeV using the direct plasma injection scheme, which integrates a laser ion source (LIS) with a radio frequency quadrupole (RFQ) accelerator. The effect of nozzle geometry on beam extraction was systematically investigated using 8 and 12 mm tapered designs and an 18 mm cylindrical configuration. The 18 mm nozzle achieved the highest Al 11+ beam current, while the 12 mm aperture provided a favorable balance between beam intensity and current density. Beam extraction simulations confirmed effective RFQ matching across multiple charge states, and solenoidal field tuning further enhanced plasma collimation. This work not only establishes a new benchmark for high-current ion beam generation but also provides a fundamental understanding of plasma–beam interface dynamics crucial for the next generation of high-intensity particle accelerators, particularly those employing LIS-RFQ systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

A molecular view of peptoid-induced acceleration of calcite growth

The extensive deposits of calcium carbonate (CaCO 3 ) generated by marine organisms constitute the largest and oldest carbon dioxide (CO 2 ) reservoir. These organisms utilize macromolecules like peptides and proteins to facilitate the nucleation and growth of carbonate minerals, serving as an effective method for CO 2 sequestration. However, the precise mechanisms behind this process remain elusive. In this study, we report the use of sequence-defined peptoids, a class of peptidomimetics, to achieve the accelerated calcite step growth kinetics with the molecular level mechanistic understanding. By designing peptoids with hydrophilic and hydrophobic blocks, we systematically investigated the acceleration in step growth rate of calcite crystals using in situ atomic force microscopy (AFM), varying peptoid sequences and concentrations, CaCO 3 supersaturations, and the ratio of Ca 2+ / HCO 3 − . Mechanistic studies using NMR, three-dimensional fast force mapping (3D FFM), and isothermal titration calorimetry (ITC) were conducted to reveal the interactions of peptoids with Ca 2+ and HCO 3 − ions in solution, as well as the effect of peptoids on solvation and energetics of calcite crystal surface. Our results indicate the multiple roles of peptoid in facilitating HCO 3 − deprotonation, Ca 2+ desolvation, and the disruption of interfacial hydration layers of the calcite surface, which collectively contribute to a peptoid-induced acceleration of calcite growth. These findings provide guidelines for future design of sequence-specific biomimetic polymers as crystallization promoters, offering potential applications in environmental remediation (such as CO 2 sequestration), biomedical engineering, and energy storage where fast crystallization is preferred.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗