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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Proposal for a Proton-Bunch Compression Experiment at IOTA in the Strong Space-Charge Regime

The longitudinal compression of intense proton bunches with strong space-charge force is an essential component of a proton-based muon source for a muon collider. This paper discusses a proton-bunch compression experiment at the Integrable Optics Test Accelerator (IOTA) storage ring at Fermilab to explore optimal radio frequency (RF) cavity and lattice configurations. IOTA is a compact fixed-energy storage ring that can circulate a 2.5-MeV proton beam with varying beam parameters and lattice configurations. The study will aim to demonstrate a bunch-compression factor of at least 2 in the IOTA ring while examining the impact of intense space-charge effects on the compression process.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Sextupole misalignment and defect identification and remediation in IOTA

The nonlinear integrable optics studies at the integrable optics test accelerator (IOTA) demand fine control of the chromaticity using sextupole magnets. During the last experimental run undesirable misalignments and multipole composition in some sextupole magnets impacted operations. This report outlines the beam-based methods used to identify the nature of the misalignments and defects, and the subsequent magnetic measurements and remediation of the magnets for future runs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Sextupole Misalignment and Defect Identification and Remediation in IOTA

The nonlinear integrable optics studies at the integrable optics test accelerator (IOTA) demand fine control of the chromaticity using sextupole magnets. During the last experimental run undesirable misalignments and multipole composition in some sextupole magnets impacted operations. This report outlines the beam-based methods used to identify the nature of the misalignments and defects, and the subsequent magnetic measurements and remediation of the magnets for future runs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Laser-plasma ion beam booster based on hollow-channel magnetic vortex acceleration

Laser-driven ion acceleration provides ultrashort, high-charge, low-emittance beams, which are desirable for a wide range of high-impact applications. Yet after decades of research, a significant increase in maximum ion energy is still needed. This paper introduces a quality-preserving staging concept for ultraintense ion bunches that is seamlessly applicable from the nonrelativistic plasma source to the relativistic regime. Full three-dimensional particle-in-cell simulations prove robustness and capture of a high-charge proton bunch, suitable for readily available and near-term laser facilities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Effects of stoichiometry and epitaxial strain on the stabilization of infinite-layer nickelates

The discovery of superconductivity in infinite-layer nickelates has sparked great interest due to their potential analogy with the unconventional cuprate superconductors. However, investigations of this system have been limited by the challenges in materials control and synthesis driven by substantial thermodynamic instability, making it difficult to reach an experimental consensus. Hence, establishing a robust synthetic route to highly crystalline infinite-layer nickelates is of paramount importance. Here, we present and discuss recent progress on the reproducible two-step synthesis of (Nd,Sr)NiO2 via the stabilization of high-quality perovskite nickelates and the subsequent topotactic transition to the infinite-layer phase. In particular, we discuss the important factors, such as cation stoichiometry and epitaxial strain, which significantly impact the crystallinity of both phases, accompanied by careful structural characterization. These results on robust synthesis can help accelerate the experimental investigation of the intrinsic physical properties of these complex strongly correlated materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Integration Development and Testing of Rear Transition Monitor for Beam Current Monitoring System

Addressing baseline effects in accelerator environments is crucial for accurate data acquisition and analysis, since baseline effects can obscure signal clarity and impact the reliability of beam current monitoring systems. There are many potential contributors to baseline noise, such as variations in beam dynamics, electromagnetic interference from nearby equipment, or RF interference. Previous applications of noise reduction systems don t sufficiently filter sources of asynchronous noise, so a new algorithm was implemented. A simulation dataset was created to replicate beam conditions and a Red Pitaya FPGA was used to collect data through the streaming application. A Python script was developed to implement noise reduction algorithms and efforts were made to integrate real-time data streaming with the Redis platform and Acnet Front End infrastructure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A Spatially Resolved Evaluation of Accelerated Environmental Aging on Emerging Polypropylene-Based Photovoltaic Backsheets Using Raman Spectroscopy

For this work, accelerated aging was used to assess environmental degradation in emerging co-extruded polypropylene (PP)-based backsheets under three different environmental conditions (65°C/20% relative humidity (RH), 75°C/20% RH, and 75°C/50% RH). Although differential scanning calorimetry did not measure crystallinity changes with exposure, spatially resolved Raman spectroscopy identified crystallinity increases in the core layer of aged samples, indicating a heterogeneous postcrystallization process. The Raman results were in agreement with synchrotron-based microfocused wide-angle X-ray scattering measurements. Cross-sectional nanoindentation was used to correlate localized crystallinity shifts with changes in Young's modulus. A similar trend was found where increased modulus was measured in the core layer, supporting the relationship between modulus and crystallinity. Finally, dielectric characterization was used to assess the impact of these material property changes on performance. While changes in the backsheet material properties and dielectric performance were observed with accelerated aging, these shifts generally equilibrated with time, indicating overall stability in response to environmental stressors. Additionally, the identified heterogeneous material property changes indicate that spatially resolved crystallinity measurements may be a valuable early failure indicator to be used in the assessment of PV backsheet long-term durability.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Energy and physical resource impacts of quantum computing merit greater attention

Quantum computing research and development is growing worldwide; yet the energy and physical resource demands of future quantum-accelerated data centres are unknown. Planning for quantum computing requires strong collaboration between research communities across engineering, physics, environmental sciences, economics, policy, and energy systems and scenario modelling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Illuminated nights accelerate the migration‐linked phenology in a passerine finch redheaded bunting

Abstract The excessive use of artificial light is altering the natural light–dark cycles, consequently impacting animal behavior and physiology. Dim light at night (dLAN) can disrupt migratory patterns, alter hormone levels, and impact breeding success in birds. The present research aims to address the effects of dLAN on the metabolic and reproductive tissues of migratory redheaded bunting ( Emberiza bruniceps ). For this, buntings under short winter‐like days (10L:14D) were exposed to either dark nights ( D = 0.00014 W/m 2 ) or dLAN ( D = 0.058 W/m 2 ), and their locomotor activity, body mass, fat score, food intake, testicular volume, and plasma testosterone levels were measured. The histological architecture of the muscle, intestine, testis, and liver tissues was assessed. Birds exposed to dark nights confined their activity to the daytime only, whereas the dLAN group showed nocturnal activity and initiated Zugunruhe (nighttime restlessness). The body mass, food intake, fat score, and testicular volume significantly increased under dLAN. Histomorphometry revealed increased muscle width, epithelium thickness, and lumen diameter in the testis, proximal and distal muscularis thickness in the intestine, hepatic lipid droplet size, and decreased proximal villi length and intestinal diameter under dLAN. Further, plasma testosterone levels also increased under dLAN. Our results suggest that dLAN can induce migration‐linked phenotypes even under non‐stimulatory short days leading to mistimed seasonal activities.

Tiwari, Jyoti [Department of Zoology University of↗
DOE OSTI2025

Impact of Synthesis and Aging on Titanium Carbide MXenes for Printed Microsystems

This work investigates the long-term electrical stability of Ti3C2Tx MXene Inks under accelerated aging conditions. Inks were synthesized from commercial MAX-Phase precursors, drop-cast onto custom PCB’s and monitored automated in-situ measurements. Samples aged at 85°C/85% RH, 85°C/0% RH and ambient conditions revealed distinct degradation trends. Wet aged inks showed rapid resistance increased while etched formulations exhibited long term stability. These findings highlight the influence of synthesis stage and environmental exposure on MXene Inks reliability, offering critical insights for printed MEMS and sensor applications. Ongoing measurements extend the aging timeline beyond prior studies, marking the longest evaluation under accelerated aging conditions to date.

Aging↗
DOE OSTI2024

Final Physics Design of Proton Improvement Plan-II at Fermilab

This paper presents the final physics design of the Proton Improvement Plan-II (PIP-II) at Fermilab, focusing on the linear accelerator (Linac) and its beam transfer line. We address the challenges in longitudinal and transverse lattice design, specifically targeting collective effects, parametric resonances, and space charge nonlinearities that impact beam stability and emittance control. The strategies implemented effectively mitigate space charge complexities, resulting in significant improvements in beam quality—evidenced by reduced emittance growth, lower beam halo, decreased loss, and better energy spread management. This comprehensive study is pivotal for the PIP-II project's success, providing valuable insights and approaches for future accelerator designs, especially in managing nonlinearities and enhancing beam dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Final Physics Design of Proton Improvement Plan-II At Fermilab

This paper presents the final physics design of the Proton Improvement Plan-II (PIP-II) at Fermilab, focusing on the linear accelerator (Linac) and its beam transfer line. We address the challenges in longitudinal and transverse lattice design, specifically targeting collective effects, parametric resonances, and space charge nonlinearities that impact beam stability and emittance control. The strategies implemented effectively mitigate space charge complexities, resulting in significant improvements in beam quality -- evidenced by reduced emittance growth, lower beam halo, decreased loss, and better energy spread management. This comprehensive study is pivotal for the PIP-II project's success, providing valuable insights and approaches for future accelerator designs, especially in managing nonlinearities and enhancing beam dynamics.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Simulations of positron injector for Ce+BAF

A baseline concept for a continuous wave (CW) polarized positron injector was developed for the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab. This concept is based on the generation of CW longitudinally polarized positrons by a high-current, polarized electron beam (1 mA, 130‑370 MeV, and 90% longitudinal polarization) that passes through a rotating, water-cooled, tungsten target. The simulation results for the Ce+BAF injector at the Low Energy Recirculator Facility (LERF) are presented, including positron beam generation, capture, energy selection, and acceleration to 123 MeV. The positron yield (or positron current) and longitudinal polarization are calculated considering the longitudinal and transverse CEBAF acceptances (<1% energy spread, <1 mm bunch length and normalized emittance of <100 mm mrad). The impact of target thickness, drive electron beam energy, and transverse size on positron yield within the required emittance limit is evaluated.

Accelerator Physics↗
DOE OSTI2026

Theoretical Insights into Reaction-Induced Transformation and Tuning of Catalytic Behavior in Heterogenous Catalysis

Reaction-induced transformations in heterogenous catalysis represent diverse phenomena that challenge traditional views of static catalyst surfaces. From surface adsorbate dynamics, atomic rearrangements, to composition and phase transitions, these processes reveal the profound differences between idealized model systems under ultrahigh vacuum and the complex, evolving interfaces that govern real catalytic behaviors under reaction conditions. Here, this perspective reviews recent theoretical efforts to provide atomic-level mechanistic insights into significant reaction-induced transformations and their impact on catalytic activity and selectivity. It underscores the need for an integrated framework that combines predictive simulations with operando characterization to uncover active sites and mechanisms under realistic operating conditions. Achieving this requires accelerating existing simulations to fully capture diverse reaction-induced surface dynamics, enabling scalable and accurate modeling of catalysts as condition-dependent, dynamically evolving systems. Such approaches are critical to bridge the gap between theory and practice, offering a pathway to more impactful and predictive catalyst design.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Portable, heterogeneous ensemble workflows at scale using libEnsemble

libEnsemble is a Python-based toolkit for running dynamic ensembles, developed as part of the DOE Exascale Computing Project. The toolkit utilizes a unique generator–simulator–allocator paradigm, where generators produce input for simulators, simulators evaluate those inputs, and allocators decide whether and when a simulator or generator should be called. The generator steers the ensemble based on simulation results. Generators may, for example, apply methods for numerical optimization, machine learning, or statistical calibration. libEnsemble communicates between a manager and workers. Flexibility is provided through multiple manager–worker communication substrates each of which has different benefits. These include Python’s multiprocessing, mpi4py, and TCP. Multisite ensembles are supported using Balsam or Globus Compute. We overview the unique characteristics of libEnsemble as well as current and potential interoperability with other packages in the workflow ecosystem. We highlight libEnsemble’s dynamic resource features: libEnsemble can detect system resources, such as available nodes, cores, and GPUs, and assign these in a portable way. These features allow users to specify the number of processors and GPUs required for each simulation; and resources will be automatically assigned on a wide range of systems, including Frontier, Aurora, and Perlmutter. Such ensembles can include multiple simulation types, some using GPUs and others using only CPUs, sharing nodes for maximum efficiency. We also describe the benefits of libEnsemble’s generator–simulator coupling, which easily exposes to the user the ability to cancel, and portably kill, running simulations based on models that are updated with intermediate simulation output. We demonstrate libEnsemble’s capabilities, scalability, and scientific impact via a Gaussian process surrogate training problem for the longitudinal density profile at the exit of a plasma accelerator stage. In conclusion, the study uses gpCAM for the surrogate model and employs either Wake-T or WarpX simulations, highlighting efficient use of resources that can easily extend to exascale.

Dynamic ensembles↗
DOE OSTI2024

APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics

The prediction of protein 3D structure from amino acid sequence is a computational grand challenge in biophysics and plays a key role in robust protein structure prediction algorithms, from drug discovery to genome interpretation. The advent of AI models, such as AlphaFold, is revolutionizing applications that depend on robust protein structure prediction algorithms. To maximize the impact, and ease the usability, of these AI tools we introduce APACE, AlphaFold2 and advanced computing as a service, a computational framework that effectively handles this AI model and its TB-size database to conduct accelerated protein structure prediction analyses in modern supercomputing environments. We deployed APACE in the Delta and Polaris supercomputers and quantified its performance for accurate protein structure predictions using four exemplar proteins: 6AWO, 6OAN, 7MEZ, and 6D6U. Using up to 300 ensembles, distributed across 200 NVIDIA A100 GPUs, we found that APACE is up to two orders of magnitude faster than off-the-self AlphaFold2 implementations, reducing time-to-solution from weeks to minutes. This computational approach may be readily linked with robotics laboratories to automate and accelerate scientific discovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Post-DTL Beam Delivery

Ensuring that the beam delivered from the upgraded Front-End (FE) meets the Key Performance Parameters (KPPs) at each user facility is critical to the success of the LANSCE Accelerator Modernization Project (LAMP). For a high-intensity, multi-user facility like LANSCE, compliance with beam loss and radiation thresholds is as important as the charge delivered to each target. While early LAMPF/LANSCE operations relied on iterative tuning to minimize losses from beam halo and tail particles, the new FE may introduce different beam distributions and loss modes—making predictive modeling essential. To manage this, the F2E (Front-End to End) effort is developing detailed particle-tracking models that reflect realistic beamline conditions, including halo formation and expected diagnostic readings. These "snapshot" simulations aim to benchmark live machine performance at a given moment. This will help quantify how beam quality from the new FE will propagate downstream through the facility. Only by validating these models can we confidently assess and mitigate the potential impacts of the LAMP FE on beam delivery. Post-DTL, the beam splits to serve five major user facilities. Historically, low-energy beam transport has been modeled using TRACE, and higher-energy sections with TRANSPORT. These have now been unified into MAD-X format and validated with codes such as Elegant, pyOrbit, XSuite, Impact-Z, and HPSim. The primary focus now is on accurate modeling of full particle distributions (including beam halo) as they traverse the accelerator and beamlines to each experimental station. All models are at various stages of validation with empirical data.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

The impact of chemistry on anion migration in bixbyite-structured lanthanide oxides

This manuscript describes atomistic calculations of oxygen vacancy and interstitial migration in bixbyite structured lanthanide oxides. We examine two types of compounds, one in which only one type of lanthanide cation is present and a second class in which two lanthanides are present in a 3:1 ratio as dictated by the symmetry of the bixbyite crystal structure. Using temperature accelerated dynamics and the nudged elastic band method, we quantify the role of chemistry on the energy barriers for the most important pathways for both vacancy and interstitial migration. We then analyze the impact of these variations on the overall diffusivity of each defect, quantifying the contribution of each pathway using the theory of kinosons. We find that vacancy mobility can vary by as much as three orders of magnitude through changes in chemistry at 500 K. Changes in interstitial mobility are more modest but can still vary by an order of magnitude. This points to the ability to tune the mass transport characteristics of these compounds through appropriate choices in chemistry. We have also included supplementary information containing the atomic structures of the relevant pathways.

36 MATERIALS SCIENCE↗