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At least 1,783 records · Page 99

Charging and Heating Dynamics of Nanoparticles in Nonthermal Plasmas

The focus of this award was to understand the interactions of nanometer-sized particles with ionized gases, also called plasmas. Plasmas are widely used in the fabrication of electronic circuits such as microprocessors and memory devices, in plasma display panels, as well as in medical applications. Recently, these ionized gases are finding applications in the synthesis of advanced nanomaterials with novel properties, which are based on nanometer-sized particulate (nanoparticles) building blocks. As these nanoparticles grow in the plasma environment, they interact with the plasmas species such as electrons and ions which critically determines the nanoparticle properties. The University of Minnesota researchers conducting this project performed numerical simulations and developed analytical models that described the interaction of plasma-bound nanoparticles with the plasma ions. The plasma ions bombard the nanoparticle surface with substantial energy, which can result in the rearrangement of the nanoparticles’ atoms, giving them often desirable structures at the atomic scale. Being able to tune the ion energies allows to control the properties of nanoparticles produced in order to tailor their attributes for certain applications. For instance, when used in high efficiency light emitting devices, nanoparticles produced under high fluxes of highly energetic ions may show superior light emission to particles produced under low fluxes of less energetic ions. The analytical models developed by the University of Minnesota researchers enable the research community to easily determine the energy of ions bombarding the nanoparticles. The researchers extensively tested the validity of the analytical models by comparing them to sophisticated computer simulations based on stochastic particle modeling, also called Monte Carlo modeling, which simulated the motion of hundreds of thousands of ions and their interaction with the nanoparticle surfaces. Beyond the scientific intellectual merits, this award had significant broader impacts. Two graduate students received their doctoral degrees and both have joined a U.S. manufacturer of plasma-based semiconductor processing equipment. Four undergraduate students participated in research conducted under this grant and gained valuable hands-on laboratory experience. A middle school science teacher observed research conducted under this grant and developed three new course modules that introduce middle school students to the concepts of nanometer scale, the atomic structure of matter, and the composition of matter of different chemical elements.

42 ENGINEERING↗

Harnessing dimethyl ether with ultra-low-grade heat for scaling-resistant brine concentration and fractional crystallization

Solvent-driven separations may enable scalable concentration of hypersaline brines, supporting a circular resource economy from the extraction of lithium and rare earth elements from spent battery and magnet leachates. This work analyses a novel solvent-driven water extraction (SDWE) system employing dimethyl ether (DME) and ultra-low-grade heat for brine concentration and fractional crystallization. SDWE exploits DME’s unique properties: (1) a low dielectric constant that promotes water solubility over charged solutes by a factor of 10 3 , and (2) a high volatility that facilitate efficient DME reconcentration with ultra-low-grade heat. The techno-economic viability of SDWE is assessed with a computational framework that encompasses a liquid–liquid separator and a solvent concentrator. We integrate the extended universal quasichemical model with the virial equation of state to predict the compositions of the complex three-phase DME-water mixture at vapor–liquid and liquid–liquid equilibrium. Subsequently, we optimize the thermodynamic and economic performance of SDWE, by controlling the interstage flash pressure, heat source temperature, and the number of concentrating stages. DME-based SDWE concentrates an input saline feed to 5.5 M and regenerates over 99 % of the DME using ultra-low-grade heat below 50 °C, with a DME/water selectivity ratio of 125. Here our calculations reveal that optimal performance is achieved at interstage flash pressures of 0.4 – 0.5 bar for heat source temperatures between 323–373 K, with improved exergetic efficiencies at lower temperatures. At a heat source temperature of 323 K and an interstage pressure of 0.489 bar, DME-driven SDWE achieves an optimal thermodynamic efficiency of 20.5 % and a projected specific cost of US$ 1.93 m -3 . These specific costs suggest that SDWE is competitive with commercialized thermal distillation technologies, while mitigating the traditional risks associated with scaling in heat and mass exchangers with hypersaline brines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Model-based feasibility assessment and evaluation of prostate hyperthermia with a commercial MR-guided endorectal HIFU ablation array

Purpose: Feasibility of targeted and volumetric hyperthermia (40–45 °C) delivery to the prostate with a commercial MR-guided endorectal ultrasound phased array system, designed specifically for thermal ablation and approved for ablation trials (ExAblate 2100, Insightec Ltd.), was assessed through computer simulations and tissue-equivalent phantom experiments with the intention of fast clinical translation for targeted hyperthermia in conjunction with radiotherapy and chemotherapy. Methods: The simulations included a 3D finite element method based biothermal model, and acoustic field calculations for the ExAblate ERUS phased array (2.3 MHz, 2.3 × 4.0 cm{sup 2}, ∼1000 channels) using the rectangular radiator method. Array beamforming strategies were investigated to deliver protracted, continuous-wave hyperthermia to focal prostate cancer targets identified from representative patient cases. Constraints on power densities, sonication durations and switching speeds imposed by ExAblate hardware and software were incorporated in the models. Preliminary experiments included beamformed sonications in tissue mimicking phantoms under MR temperature monitoring at 3 T (GE Discovery MR750W). Results: Acoustic intensities considered during simulation were limited to ensure mild hyperthermia (T{sub max} < 45 °C) and fail-safe operation of the ExAblate array (spatial and time averaged acoustic intensity I{sub SATA} < 3.4 W/cm{sup 2}). Tissue volumes with therapeutic temperature levels (T > 41 °C) were estimated. Numerical simulations indicated that T > 41 °C was calculated in 13–23 cm{sup 3} volumes for sonications with planar or diverging beam patterns at 0.9–1.2 W/cm{sup 2}, in 4.5–5.8 cm{sup 3} volumes for simultaneous multipoint focus beam patterns at ∼0.7 W/cm{sup 2}, and in ∼6.0 cm{sup 3} for curvilinear (cylindrical) beam patterns at 0.75 W/cm{sup 2}. Focused heating patterns may be practical for treating focal disease in a single posterior quadrant of the prostate and diffused heating patterns may be useful for heating quadrants, hemigland volumes or even bilateral targets. Treatable volumes may be limited by pubic bone heating. Therapeutic temperatures were estimated for a range of physiological parameters, sonication duty cycles and rectal cooling. Hyperthermia specific phasing patterns were implemented on the ExAblate prostate array and continuous-wave sonications (∼0.88 W/cm{sup 2}, 15 min) were performed in tissue-mimicking material with real-time MR-based temperature imaging (PRFS imaging at 3.0 T). Shapes of heating patterns observed during experiments were consistent with simulations. Conclusions: The ExAblate 2100, designed specifically for thermal ablation, can be controlled for delivering continuous hyperthermia in prostate while working within operational constraints.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Magnetic properties of doped Mn-Ga alloys made by mechanical milling and heat treatment

Mn-Ga alloys have shown hard magnetic properties, even though these alloys contain no rare-earth metals. However, much work is needed before rare-earth magnets can be replaced. We have examined the magnetic properties of bulk alloys made with partial replacement of both the Mn and Ga elements in the Mn{sub 0.8}Ga{sub 0.2} system. Bulk samples of Mn-Ga-Bi, Mn-Ga-Al, Mn-Fe-Ga and Mn-(FeB)-Ga alloys were fabricated and studied using mechanically milling and heat treatments while altering the atomic percentage of the third element between 2.5 and 20 at%. The ternary alloy exhibits all hard magnetic properties at room temperature with large coercivity. Annealed Mn-Ga-X bulk composites exhibit high coercivities up to 16.6 kOe and remanence up to 9.8 emu/g, that is increased by 115% over the binary system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Selective depolymerization of polyolefin copolymer via high-entropy alloy catalyzed pyrolysis in a double-layered ultrafast heating reactor

Chemical recycling of polyolefin copolymers (PCPs) is essential for mitigating plastic pollution, yet achieving selective depolymerization into C 2 –C 3 monomers at high productivity remains challenging. Here, we introduce a double-layered ultrafast heating reactor (DUHR) that integrates Joule heating with a high-entropy alloy (HEA) catalyst composed of near-equimolar Co, Cu, Fe, Mn, and Ni. We achieve highly selective depolymerization of PCP into ethylene and propylene, yielding a 70% non-condensable fraction. Significant aromatic fractions form via radical-driven pathways—a behavior distinct from conventional externally heated pyrolyzers—highlighting DUHR's ability to generate reactive species and modulate reaction pathways. Furthermore, these findings demonstrate an effective strategy for chemical recycling of real-world plastic waste for polyolefin circularity and sustainable resource recovery.

Chemical recycling↗

Erosion of frozen sulfur dioxide by ion bombardment - Applications to Io

The erosion of frozen SO2 due to bombardment by both light and heavy ions (He and F) was measured for bombarding energies of 0.08 to 1.3 MeV/amu. The number of SO2 molecules ejected from the target per incident ion (i.e., the sputtering yield) was 50 for 1.5 MeV He ions and 7300 for 6 MeV F ions. Ion bombardment followed by heating produced an oxygen/sulfur residue which was much more stable against subsequent ion bombardment than the initial frozen SO2. The erosion rate of SO2 frost on Jupiter's moon Io depends strongly on the elemental composition and energy spectra of the magnetospheric ion flux which bombards the surface. The combined effects of ion bombardment and heating which produced residues on the target substrates may also occur on Io from magnetospheric ion bombardment and heating by volcanism. The experimental results compare favorably with a new model of the sputtering process which considers the energy loss of the incident ion to electronic excitation in the target.

Melcher, C. L.↗

Microstructural Evolution and Mechanical Properties of LP-DED NASA HR-1 – A Hydrogen Resistant AM Superalloy for Space Propulsion Applications

The National Aeronautics and Space Administration (NASA) has actively pursued metal additive manufacturing (AM) technologies for spaceflight applications since the late 2000s. AM offers transformative advantages in cost, schedule, part consolidation, and design flexibility. Among the various AM techniques, laser powder directed energy deposition (LP-DED) is particularly well suited for fabricating complex geometries with fine feature resolution. In propulsion systems that utilize high-pressure gaseous hydrogen—such as liquid hydrogen rocket engines—hydrogen environment embrittlement (HEE) presents a serious threat to material performance 1,2 . Mechanical property degradation under these conditions can compromise component reliability, especially under cyclic loading. To address this challenge, NASA developed NASA HR-1 (Hydrogen Resistant-1) as a solution for liquid rocket engine components operating in hydrogen-rich environments, using the LP-DED technique 3-9 . A key component in a liquid rocket engine is the exhaust nozzle, which is typically regeneratively cooled (regen) due to the high heat flux. NASA HR-1 was specifically developed for regen nozzle applications using hydrogen as a propellant, providing resistance to HEE, a critical issue for many materials. The AM version of NASA HR-1 was also formulated to achieve high ultimate tensile strength, along with high yield strength and ductility in this environment 5,6 . Low-cycle fatigue (LCF) is another important consideration in nozzle design, as components are expected to endure multiple starts and missions. Additionally, the LP-DED version of the alloy exhibits improved thermal conductivity compared to its wrought counterpart, which benefits nozzle cooling. Overall, NASA HR-1 offers an excellent balance of high strength, HEE resistance, LCF performance, thermal conductivity, and ductility to meet the demanding requirements of channel-cooled nozzles and other components used with hydrogen and other propellants. The LP-DED–processed NASA HR-1 requires several post-processing heat treatment steps to achieve the material properties desirable for its intended application 6 . These steps include stress relief, homogenization, solution annealing, and aging for precipitation hardening. The stress relief treatment mitigates residual stresses accumulated during the LP-DED process and minimizes the potential for distortion. Homogenization, a common step for AM materials, reduces elemental segregation and promotes recrystallization to develop a more equiaxed grain structure. The subsequent solution annealing treatment heats the part to a solid solution temperature to dissolve the undesirable η-phase that forms during cooling from homogenization, followed by rapid cooling to retain an η-phase–free microstructure. Finally, aging promotes precipitation of the strengthening γ′ phase in the alloy. The integration of compositional design and optimized thermal processing enables high-quality LP-DED NASA HR-1 components with excellent microstructural and mechanical stability. Improved chemical and microstructure homogeneity enhances ductility and fatigue resistance—both critical for safe and reliable operation in high-pressure hydrogen environments. NASA has successfully fabricated and hot-fire tested multiple subscale and full-scale channel wall nozzles using LP-DED NASA HR-1 5,6, 9-14 . These efforts included process refinements to support thin-wall construction and various channel geometries. Throughout development, several key observations emerged. After homogenization, the as-built columnar grain structure transforms into a fully equiaxed microstructure. However, subsequent treatments—such as solution annealing and aging—result in changes that are more difficult to track. The grain structure remains largely unchanged, and the γ′ precipitates, typically 5–10 nm in diameter, are beyond the resolution of scanning electron microscopy (SEM). While transmission electron microscopy (TEM) can resolve these fine precipitates, TEM sample preparation is time-consuming and difficult for LP-DED material. As an alternative, differential scanning calorimetry (DSC) offers a useful, qualitative approach to monitor precipitate evolution throughout different stages of heat treatment. The overall goal is to improve the understanding of how heat treatment affects the microstructure and mechanical performance of LP-DED NASA HR-1. This paper presents heat treatment design considerations, microstructural characterization, mechanical testing – including tensile and LCF testing in both air and hydrogen environments.

Superalloy↗

Mitigation of variable seasonal productivity in algae biomass through blending and ensiling: An assessment of compositional changes in storage

Microalgae biomass has gained considerable attention in recent years as an attractive feedstock for biofuel production. However, seasonal variability in algae growth presents a challenge to delivering a consistent feedstock supply to a conversion facility. Drying is one approach to preserving algae produced in productive summer months for conversion in winter, but is energy intensive and costly. Ensiling is an alternative to drying that preserves algae in wet anaerobic conditions in the presence of organic acids. We have previously demonstrated that dry matter loss of algae:corn stover blends can be limited to 8% over 35 days using this approach. However, longer storage durations will be required to maintain a consistent feedstock supply to a biorefinery. Furthermore, the impacts to biomass quality that occur during storage are unknown. A Box-Behnken design of experiment was conducted to determine the influence of moisture, soluble sugar, and algae content on dry matter loss of algae:corn stover blends in wet anaerobic storage over a 30-day period. Using one-way analysis of variance (ANOVA) moisture and soluble sugar content were found to significantly affect dry matter loss in storage. The results of experimental design were then used to inform the initiation of a 180 day storage study that evaluated the storage performance and biomass composition of algae:corn stover blends containing 5, 20 or 40% algae. After 180 days of storage dry matter loss ranged from 6 – 17%. A relative increase in nitrogen content of stored blends indicates that protein content was unaffected by storage, while the carbohydrate fraction was most impacted, decreasing by 5 – 15%. For each stored blend the oxygen content decreased in storage resulting increased higher heating values (HHV). As a result, the impact that changes to biochemical and elemental composition of algae:corn stover blends has on biomass conversion to fuels and chemicals is discussed.

09 BIOMASS FUELS↗

A new predictive multi-zone model for HCCI engine combustion

Here, this work introduces a new predictive multi-zone model for the description of combustion in Homogeneous Charge Compression Ignition (HCCI) engines. The model exploits the existing OpenSMOKE++ computational suite to handle detailed kinetic mechanisms, providing reliable predictions of the in-cylinder auto-ignition processes. All the elements with a significant impact on the combustion performances and emissions, like turbulence, heat and mass exchanges, crevices, residual burned gases, thermal and feed stratification are taken into account. Compared to other computational approaches, this model improves the description of mixture stratification phenomena by coupling a wall heat transfer model derived from CFD application with a proper turbulence model. Furthermore, the calibration of this multi-zone model requires only three parameters, which can be derived from a non-reactive CFD simulation: these adaptive variables depend only on the engine geometry and remain fixed across a wide range of operating conditions, allowing the prediction of auto-ignition, pressure traces and pollutants. This computational framework enables the use of detail kinetic mechanisms, as well as Rate of Production Analysis (RoPA) and Sensitivity Analysis (SA) to investigate the complex chemistry involved in the auto-ignition and the pollutants formation processes. In the final sections of the paper, these capabilities are demonstrated through the comparison with experimental data.

30 DIRECT ENERGY CONVERSION↗

Measurements of the thermal conductivity of reference liquids using a modified transient hot-wire needle probe

Many power generation processes feature some type of working fluid that plays a critical role in the transfer of heat throughout the system. To optimize thermal efficiencies, an accurate characterization of the temperature-dependent thermal conductivity of the fluid is needed. Herein, this study develops a time-domain Modified Transient Hot-wire Needle Probe to overcome phenomena that have impaired traditional measurement techniques when the fluid is both corrosive and at an elevated temperature. First, the physical design of the instrument is presented to demonstrate features that limit interference from corrosion, electrical conduction, and convective and radiative heat transfer. Next, a governing equation for 1D (radial) heat conduction is fully developed using the thermal quadrupoles technique. A finite-element study is performed for validation. A sensitivity analysis is done to assess the time-dependent influence of critical parameters in the governing equation for several samples. Finally, thermal conductivity measurements are presented for seven different liquid substances by fitting the thermal model to experimental data across a range of temperatures. Reference correlations are included for comparison. The sample thermal conductivity and ambient temperature of the experimental conditions range from 0.125–16.5$\frac{W}{m·K}$ and 10–400°C, respectively. The total uncertainty, comprised of both the experimental design and fitting process, of all measurements is quantified.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The quest for safer nuclear fuels

Here, to increase the safety and performance of nuclear reactors, researchers are working on developing ‘accident tolerant’ fuels. Ideally, these fuel pellets will be less susceptible to swelling and be more resistant to extreme heat. This led chemists to develop uranium dioxide (UO 2 ) doped with divalent elements, E 2+ . These dopants can introduce vacancies into the lattice that lead to larger grain sizes, which create longer pathways for fission gasses to migrate out of the grains. In undoped fuel, fission gas build-up at grain boundaries causes the fuel pellet to swell. Therefore, having larger grains that slow fission gas migration into grain boundaries is highly desired. Divalent Cr 2+ ions are a commonly explored dopant for UO 2 fuels. These materials have larger grain sizes while maintaining the dissolution kinetics of undoped UO 2 , making their long-term storage and disposal paths similarly safe. Atomistic models have suggested that Mn 2+ is a conceivable alternative doping material, with the potential to increase the sizes of grains even more than Cr 2+ dopants. As such, experimental studies are required to understand the physical chemistry and reactivity of these potential fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

All-Materials-Inclusive Flash Spark Plasma Sintering

A new flash (ultra-rapid) spark plasma sintering method applicable to various materials systems, regardless of their electrical resistivity, is developed. A number of powders ranging from metals to electrically insulative ceramics have been successfully densified resulting in homogeneous microstructures within sintering times of 8–35 s. A finite element simulation reveals that the developed method, providing an extraordinary fast and homogeneous heating concentrated in the sample’s volume and punches, is applicable to all the different samples tested. The utilized uniquely controllable flash phenomenon is enabled by the combination of the electric current concentration around the sample and the confinement of the heat generated in this area by the lateral thermal contact resistance. The presented new method allows: extending flash sintering to nearly all materials, controlling sample shape by an added graphite die, and an energy efficient mass production of small and intermediate size objects. This approach represents also a potential venue for future investigations of flash sintering of complex shapes.

36 MATERIALS SCIENCE↗

Sonic IR crack detection of aircraft turbine engine blades with multi-frequency ultrasound excitations

Effectively and accurately detecting cracks or defects in critical engine components, such as turbine engine blades, is very important for aircraft safety. Sonic Infrared (IR) Imaging is such a technology with great potential for these applications. This technology combines ultrasound excitation and IR imaging to identify cracks and flaws in targets. In general, failure of engine components, such as blades, begins with tiny cracks. Since the attenuation of the ultrasound wave propagation in turbine engine blades is small, the efficiency of crack detection in turbine engine blades can be quite high. The authors at Wayne State University have been developing the technology as a reliable tool for the future field use in aircraft engines and engine parts. One part of the development is to use finite element modeling to assist our understanding of effects of different parameters on crack heating while experimentally hard to achieve. The development has been focused with single frequency ultrasound excitation and some results have been presented in a previous conference. We are currently working on multi-frequency excitation models. The study will provide results and insights of the efficiency of different frequency excitation sources to foster the development of the technology for crack detection in aircraft engine components.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The fine structure constant and habitable planets

We use the existence of habitable planets to impose anthropic requirements on the fine structure constant, α. To this effect, we present two considerations that restrict its value to be very near the one observed. The first, that the end product of stellar fusion is iron and not one of its neighboring elements, restricts α{sup -1} to be 145± 50. The second, that radiogenic heat in the Earth's interior remains adequately productive for billions of years, restricts it to be 145±9. A connection with the grand unified theory window is discussed, effectively providing a route to probe ultra-high energy physics with upcoming advances in planetary science.

79 ASTRONOMY AND ASTROPHYSICS↗

PhaseChange Material Melting in an Energy Storage Module for a Micro Environmental ControlSystem

An experimentally validated finite element model (FEM) was developed to analyze the design parameters of a latent heat storage device (LHSD) for a micro environmental control system ( μ X). The μ X provides local cooling to an office worker in a room whose thermostat setpoint has been elevated from 23.9 °C (75 °F) to 26.1 °C (79 °F) in order to reduce heating, ventilation, and air conditioning (HVAC) energy consumption. For this application, the LHSD is designed to provide ≥50 W of cooling for a full, 8.5 h workday to restore thermal comfort in the warm, 26.1 °C room. The LHSD comprises several parallel slabs of encased phase change material (PCM) with interposed airflow channels. The airflow rate is selected to obtain ≥50 W of cooling at the end of the 8.5 h operation. The LHSD exhibits a decreasing cooling rate over the 8.5 h period when a constant airflow is passed through it, indicating that more cooling is supplied during the day than the minimum 50 W required for thermal comfort. The parametric analysis explores the effects of PCM thermal conductivity, slab thickness, air channel width, and number of slabs on LHSD performance. Parametric cases are compared against each other on the basis of their required PCM mass and energy consumption.

Engineering↗

Tusqh

SAND2025-00675O Tusqh is a software tool that generates cubical meshes in 2D and 3D and computes the homology of these meshes using persistent homology. It includes a grid cell in the output if its volume-fraction is above a selectable threshold, estimated by sampling points within the cell. Tusqh incorporates anti-aliasing algorithms to mitigate grid orientation and scale effects. It is designed for creating finite element meshes for simulations and can be used in various applications such as heat diffusion, mechanical simulations, and computer graphics rendering. The software outputs meshes in an open format compatible with downstream software. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Bridging the Gap: Thermal Properties in Composites from Microscale Constituents to Macroscale Performance

In this work, a finite element analysis model was developed to predict the frequency domain thermal response to heat input from a gaussian heat source for arbitrary 2-dimensional geometries. The model was used for geometric parameter fitting of samples experimentally measured using Frequency Domain Thermoreflectance (FDTR). Inverse fitting was performed to on experimental data to extract characteristic geometries of samples with feature sizes smaller than the Il e 2 radius of the laser used to probe the system. Further simulations were done to demonstrate the ability of the system to detect a variety of feature types. Silicon wafers with 50 nm to 1 pm of wet thermal oxide were measured and fit. Finally, microparticles suspended in epoxy were imaged using FDTR.

42 ENGINEERING↗