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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 55 records · Page 3

Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts

In nonaqueous redox-flow batteries (NRFBs), redox-active organic molecules (ROMs) and supporting salts compete for solvation sites, limiting achievable energy density. We combine automated high-throughput experimentation (HTE) with camera-based saturation monitoring and quantitative NMR to measure paired (ROM, salt) solubilities across single and mixed organic solvents. Using 2,1,3-benzothiadiazole (BTZ) with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) as a model system, we find that a binary m-xylene/acetonitrile mixture dissolves ≈3 M of both BTZ and LiTFSI─surpassing the previously reported 2 M ceiling for neat acetonitrile─by leveraging complementary solvation (MX is BTZ-philic and salt-phobic; ACN stabilizes LiTFSI). A random-forest model (RMSE ≈ 0.24) trained on solvent descriptors highlights log P and salt concentration as dominant predictors and predicts MX/ACN ≈0.3/0.7 (v/v) to be near-optimal. These formulations retain practical viscosity and ∼5 mS·cm –1 conductivity at high loading. In conclusion, the workflow provides a reproducible, data-centric route to NRFB electrolyte design and motivates an open, standardized dual-solute solubility resource for accelerated electrolyte discovery.

Electrolytes↗

Microparticle accelerator of unique design

A microparticle accelerator has been devised for micrometeoroid impact and cratering simulation; the device produces high-velocity (0.5-15 km/sec), micrometer-sized projectiles of any cohesive material. In the source, an electrodynamic levitator, single particles are charged by ion bombardment in high vacuum. The vertical accelerator has four drift tubes, each initially at a high negative voltage. After injection of the projectile, each tube is grounded in turn at a time determined by the voltage and charge/mass ratio to give four acceleration stages with a total voltage equivalent to about 1.7 MV.

Vedder, J. F.↗

Strong–strong simulations of combined beam–beam and wakefield effects in the Electron–Ion-Collider

Collective wakefield and beam–beam effects play an important role in accelerator design and operation. These effects can cause beam instability, emittance growth, and luminosity degradation, and warrant careful study during accelerator design. In this paper, we studied the combined wakefield and beam–beam effects in an Electron Ion Collider design using strong–strong simulations. The simulation results show that the nonlinear beam–beam effects help suppress wakefield driven instability in the nominal working tune regime. In other tune regimes, the coherent beam–beam modes interact with the wakefields and cause a beam instability. The simulation results also show the importance of maintaining nominal crab cavity voltage. In conclusion, if the crab cavity voltage drops significantly the beam can become unstable.

43 PARTICLE ACCELERATORS↗

Sensitivity of 30-cm mercury bombardment ion thruster characteristics to accelerator grid design

The design of ion optics for bombardment thrusters strongly influences overall performance and lifetime. The operation of a 30 cm thruster with accelerator grid open area fractions ranging from 43 to 24 percent, was evaluated and compared with experimental and theoretical results. Ion optics properties measured included the beam current extraction capability, the minimum accelerator grid voltage to prevent backstreaming, ion beamlet diameter as a function of radial position on the grid and accelerator grid hole diameter, and the high energy, high angle ion beam edge location. Discharge chamber properties evaluated were propellant utilization efficiency, minimum discharge power per beam amp, and minimum discharge voltage.

Rawlin, V. K.↗

Sensitivity of 30-cm mercury bombardment ion thruster characteristics to accelerator grid design

The design of ion optics for bombardment thrusters strongly influences overall performance and lifetime. The operation of a 30-cm thruster with accelerator grid open area fractions ranging from 43 to 24 percent, was evaluated and compared with previously published experimental and theoretical results. Ion optics properties measured included the beam current extraction capability, the minimum accelerator grid voltage to prevent backstreaming, ion beamlet diameter as a function of radial position on the grid and accelerator grid hole diameter, and the high energy, high angle ion beam edge location. Discharge chamber properties evaluated were propellant utilization efficiency, minimum discharge power per beam amp, and minimum discharge voltage.

Rawlin, V. K.↗

Development of an Accelerated Test Design for Predicting the Service Life of the Solar Array at Mead, Nebraska

Potential long-term degradation modes for the two types of modules in the Mead array were determined and judgments were made as to those environmental stresses and combinations of stresses which accelerate the degradation of the power output. Hierarchical trees representing the severity of effects of stresses (test conditions) on eleven individual degradation modes were constructed and were pruned of tests judged to be nonessential. Composites of those trees were developed so that there is now one pruned tree covering eight degradation modes, another covering two degradation modes, and a third covering one degradation mode. These three composite trees form the basis for selection of test conditions in the final test plan which is now being prepared.

Gaines, G. B.↗

Ginkgo - A math library designed to accelerate Exascale Computing Project science applications

Large-scale simulations require efficient computation across the entire computing hierarchy. A challenge of the Exascale Computing Project (ECP) was to reconcile highly heterogeneous hardware with the myriad of applications that were required to run on these supercomputers. Mathematical software forms the backbone of almost all scientific applications, providing efficient abstractions and operations that are crucial to harness the performance of computing systems. Ginkgo is one such mathematical software library, nurtured by ECP, providing high-performance, user-friendly, and performance portable interfaces for applications in ECP and beyond. In this paper, we elaborate on Ginkgo’s philosophy of high-performance software that is sustainable, reproducible, and easy to use. We showcase the wide feature set of solvers and preconditioners available in Ginkgo and the central concepts involved in their design. We elaborate on four different ECP software integrations: MFEM, PeleLM + SUNDIALS, XGC, and ExaSGD that use Ginkgo to accelerate their science runs. Performance studies of different problems from these applications highlight the effectiveness of Ginkgo and the benefits incurred by these ECP applications.

Cojean, Terry↗

Novel PV Array System Design to Accelerate Solar Deployment, Reduce LCOE, Reduce Land Use Competition, and Increase Siting Flexibility

The increasing demand for solar energy faces significant barriers, including inefficient construction processes, high project costs limiting LCOE reductions, and diminishing availability of "good" sites with favorable interconnection. Conventional solar installations are often constrained by long construction timelines and the need for flat, large plots. Furthermore, the industry struggles with a shortage of skilled labor. Planted Solar aims to address these challenges by fundamentally transforming solar deployment from a construction project into a streamlined manufacturing process. Our novel approach combines high-density racking, integrated terrain-following design software, and installation automation. Unlike competing solutions that either assist with standard array assembly or offer dense packing without terrain adaptability or automation, Planted's technology uniquely brings together a new array product with in-place automated manufacturing to achieve the lowest possible cost, greater site flexibility, and accelerated deployment.

14 SOLAR ENERGY↗

The Muon Collider

Muons offer a unique opportunity to build a compact high-energy electroweak collider at the 10 TeV scale. A Muon Collider enables direct access to the underlying simplicity of the Standard Model and unparalleled reach beyond it. It will be a paradigm-shifting tool for particle physics representing the first collider to combine the high-energy reach of a proton collider and the high precision of an electron-positron collider, yielding a physics potential significantly greater than the sum of its individual parts. A high-energy muon collider is the natural next step in the exploration of fundamental physics after the HL-LHC and a natural complement to a future low-energy Higgs factory. Such a facility would significantly broaden the scope of particle colliders, engaging the many frontiers of the high energy community. The last European Strategy for Particle Physics Update and later the Particle Physics Project Prioritisation Panel in the US requested a study of the muon collider, which is being carried on by the International Muon Collider Collaboration. In this comprehensive document we present the physics case, the state of the work on accelerator design and technology, and propose an R\&D project that can make the muon collider a reality.

Accelerator Physics (physics.acc-ph)↗

Accelerated Sequence Design of Star Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning

Star block copolymers (s-BCPs) have potential applications as novel surfactants or amphiphiles for emulsification, compatibilization, chemical transformations, and separations. s-BCPs have chain architectures where three or more linear diblock copolymer arms comprised of two chemically distinct linear polymers, e.g., solvophobic and solvophilic chains, are covalently joined at one point. The chemical composition of each of the subunit polymer chains comprising the arms, their molecular weights, and the number of arms can be varied to tailor the surface and interfacial activity of these architecturally unique molecules. Further, this makes identification of the optimal s-BCP design nontrivial as the total number of plausible s-BCP architectures is experimentally or computationally intractable. In this work, we use molecular dynamics (MD) simulations coupled with a reinforcement learning-based Monte Carlo tree search (MCTS) to identify s-BCP designs that minimize the interfacial tension between polar and nonpolar solvents. We first validate the MCTS approach for the design of small- and medium-sized s-BCPs and then use it to efficiently identify sequences of copolymer blocks for large-sized s-BCPs. The structural origins of interfacial tension in these systems are also identified by using the configurations obtained from MD simulations. Chemical insights into the arrangement of copolymer blocks that promote lower interfacial tension were mined using machine learning (ML) techniques. Overall, this work provides an efficient approach to solve design problems via fusion of simulations and ML and provides important groundwork for future experimental investigation of s-BCPs for various applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monte Carlo simulation analysis for radiation damage on Glidcop Al-15 caused by 17-20 MeV/u heavy ions

The Facility for Rare Isotope Beams (FRIB) SRF linear heavy-ion accelerator is designed to accelerate all ions up to uranium to a maximum beam power of 400 kW. Several beam intercepting devices (BIDs) are essential to the successful operation of the accelerator, including a low power charge selector (LPCS) made of copper containing 0.15% precipitated aluminum oxide by weight called Glidcop Al-15. As FRIB ramps up the primary beam power beyond the current 20 kW level, the charge selector must withstand higher radiation damage rates, typically measured in displacements per atom (dpa). Significant beam induced radiation damage including significant deformation, like swelling, blistering, and cracking has been observed on a recently removed LPCS. We also observed physical features up to about 5.5 mm wide and appear to be deeper than the projected range of any ions. This paper presents the results of Monte Carlo simulations carried out using the Particle and Heavy Ion Transport code System (PHITS), quantifying the total damage dose and ion concentration, etc. Simulating an accurate irradiation history is essential to determining the scope of post irradiation examination (PIE) work.

Fletcher, Ethan [Michigan State U.]↗

Deep Learning and Natural Language Processing for Accelerated Inverse Design of Optical Metamaterials

Optical metamaterial device design has enjoyed a long track of success over the past 50 years leading to the manipulation of light over a wide range of wavelengths spanning the ultraviolet to the far infrared. The manipulation of light over such wavelengths has already led to many technological advancements such as the design of selective radiative absorbers for solar energy, daytime passive cooling using deep space, and optical invisibility cloaks for defense applications. Further disruptive advancements in energy, defense, computing, and biomedical fields could be enabled or enhanced by future optical metamaterial devices. These technologies could lead to increased energy efficiency and hence reduced national primary energy consumption, cheap long duration energy storage, and next generation solid-state heat engines. But historically the methods to invent and develop all of these devices have been time- consuming and based mostly on intuition and iteration. Finding an optimal design can take years.

36 MATERIALS SCIENCE↗

Deep Learning and Natural Language Processing for Accelerated Inverse Design of Optical Metamaterials

Optical metamaterial device design has enjoyed a long track of success over the past 50 years leading to the manipulation of light over a wide range of wavelengths spanning the ultraviolet to the far infrared. The manipulation of light over such wavelengths has already led to many technological advancements such as the design of selective radiative absorbers for solar energy, daytime passive cooling using deep space, and optical invisibility cloaks for defense applications. Further disruptive advancements in energy, defense, computing, and biomedical fields could be enabled or enhanced by future optical metamaterial devices. These technologies could lead to increased energy efficiency and hence reduced national primary energy consumption, cheap long duration energy storage, and next generation solid-state heat engines. But historically the methods to invent and develop all of these devices have been time- consuming and based mostly on intuition and iteration. Finding an optimal design can take years. In this project we developed a machine learning-based algorithm capable of automatically generating device designs to produce desired optical properties, reducing the design cycle life in certain situations to be almost instantaneous.

36 MATERIALS SCIENCE↗