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672 records · Page 14

Numerical-heating effects in atmospheric pressure streamer discharges simulated with a PIC code

Artificial heating in plasma simulations is a well-known phenomenon which occurs when, among other things, the Debye length is poorly resolved by the simulation mesh. Here, in this work, the degree to which numerical-heating occurs during a simulation of a nanosecond atmospheric pressure streamer discharge is examined. The streamer is simulated using a two-dimensional finite-element, particle-in-cell code Empire, which uses direct simulation Monte Carlo for binary particle interactions. Initially, an estimate of the numerical-heating rate applied to Empire is performed using a simple plasma model. Second, a positive atmospheric pressure streamer discharge simulation is performed to study the effects of numerical heating on plasma density, electron temperature, and streamer velocity. The nominal Debye length is approximately 1 μm and the amount of numerical heating introduced in the simulation is varied by using mesh sizes ranging from 2 μm to 20 μm. A measurable numerical heating quantity is proposed that can be used to estimate the appropriate element size and quantify the numerical-heating that can be expected over the simulation time for an atmospheric pressure streamer. In conclusion while Δx/λ D violations can be an issue it is not likely to be an issue with streamer discharges that are temporally short and occur in environments where collision frequencies are high. This result validates the rationale of grid size choices for a large amount of previously published works where Δx/λ D violation was not clearly addressed. Primary finding of this work is that numerical heating is of minor concern for plasma simulations where electron–neutral collisions are numerous such that multiple collisions can occur within a single plasma period.

Nikic, Dejan [University of New Mexico, Albuquerqu

2005 NASA Seal/Secondary Air System Workshop

The 2005 NASA Seal/Secondary Air System workshop covered the following topics: (i) Overview of NASA’s new Exploration Initiative program aimed at exploring the Moon, Mars, and beyond; (ii) Overview of the NASA-sponsored Propulsion 21 Project; (iii) Overview of NASA Glenn’s seal project aimed at developing advanced seals for NASA’s turbomachinery, space, and reentry vehicle needs; (iv) Reviews of NASA prime contractor, vendor, and university advanced sealing concepts including tip clearance control, test results, experimental facilities, and numerical predictions; and (v) Reviews of material development programs relevant to advanced seals development. Turbine engine studies have shown that reducing high-pressure turbine (HPT) blade tip clearances will reduce fuel burn, lower emissions, retain exhaust gas temperature margin, and increase range. Several organizations presented development efforts aimed at developing faster clearance control systems and associated technology to meet future engine needs. The workshop also covered several programs NASA is funding to develop technologies for the Exploration Initiative and advanced reusable space vehicle technologies. NASA plans on developing an advanced docking and berthing system that would permit any vehicle to dock to any on-orbit station or vehicle. Seal technical challenges (including space environments, temperature variation, and seal-on-seal operation) as well as plans to develop the necessary “androgynous” seal technologies were reviewed. Researchers also reviewed tests completed for the shuttle main landing gear door seals.

Hypersonic

Pressure-Stabilized MnSb2 with Complex Incommensurate Magnetic Order

Marcasite-type compounds have been proposed as promising hosts of exotic magnetic quantum states, yet experimental realizations in stoichiometric, disorder-free systems remain limited. Here, we report the high-pressure stabilization and magnetic characterization of MnSb2, a marcasite-type compound that is thermodynamically metastable under ambient pressure. Single crystals were synthesized using a cubic multianvil press at 3.3 GPa and 490 °C for 24 h, and powder and single-crystal X-ray diffraction confirm the orthorhombic Pnnm structure. These crystals are stable at ambient pressure for a long time up to between 450 and 500 K. Heat-capacity measurements reveal phase transitions at approximately T0 ∼ 118 K and T1 ∼ 220 K. Neutron diffraction uncovers an unconventional magnetic state below T1 ∼ 220 K. Magnetic powder neutron diffraction refinements reveal possible multiple magnetic configurations that provide comparably acceptable fits to the experimental data. While most solutions are consistent with a spin-density-wave (SDW) description, helical models systematically yield inferior agreement factors. Across a broad range of models, the Mn ordered moment reaches a maximum value of approximately 2 μB and remains predominantly collinear, with minimal canting along the c-axis. At 200 K, the magnetic propagation vector is q = (0, 0.3975, 0.3783); upon cooling, the b component increases toward 0.5, reflecting a temperature-dependent evolution of the modulation. The need for modification of the magnetic model between high and low temperatures further highlights the complex and strongly temperature-dependent nature of the magnetic order in this system. These results establish MnSb2 as a pressure-stabilized marcasite magnet with a tunable, complex magnetic state and a compelling stoichiometric platform for exploring unconventional magnetic behavior, including potential altermagnetism.

Xu, Mingyu [Michigan State University , , , ,; Iow

The Effect of Temperature and Pressure on the Distribution of Iron Group Elements Between Metal and Olivine Phases in the Process of Differentiation of Protoplanetary Material

The distribution patterns of Ni, Co, Mn, and Cr were studied in olivines of various origins: from meteorites (chondrites, achondrites, pallasites), which are likely analogs of the protoplanetary material, to peridotite inclusions in kimberlite pipes, which are analogs of mantle material. According to X-ray microanalysis data, each genetic group of olivines is characterized by a specific concentration of these elements. Nickel is concentrated (up to 0.34 percent) in peridotite olivines, while manganese is concentrated in meteoritic olivines. The maximum chromium content (0.2 percent) was found in ureilites, which were formed under reducing conditions. Experiments at pressures of 20 to 70 kbar and temperatures of 1100 to 2000°C have shown that in a mixture of olivine and Ni metal or NiO nickel enters the silicate phase (up to 4 percent), displacing Fe into the metallic phase. Equilibrium temperatures were estimated from the Fe, Ni distribution coefficients between the metal and olivine: 1500 K for pallasites, 1600 K for olivine-bronzite H6 chondrites, 1200 K for olivine-hypersthene L6, 900 K for LL6, and 1900 K for ureilites (at P = 1 atm). The equilibrium conditions of peridotites are close to T = 1800 K and P over 100 kbar. The distribution patterns of the transition elements are explained on the basis of physical-chemical properties. It is concluded that there is a sharp difference between the conditions of differentiation of the protoplanetary material at the time meteorites were formed and the conditions of differentiation of the planets into concentric layers.

A P Vinogradov

Electron-Deficient Phenazines: Synthesis, Structures, Redox, and Optoelectronic Properties in the Gas Phase, in Solution, and in the Solid State

High-temperature gas-phase reactions of 1,4-C4F8I2 with phenazine (PHNZ) afforded new thermally- and air-stable derivatives with cyclo-C4F8 substituents, viz. 1,2-PHNZ(C4F8), 2,3-PHNZ(C4F8), 1,2:6,7-PHNZ(C4F8)2, 1,2:7,8-PHNZ(C4F8)2, and 1,2:8,9-PHNZ(C4F8)2. Reactions in the presence of Cu powder resulted in reductive-defluorination/aromatization of some of the cyclo-C4F8 substituents to produce 2,3-PHNZ(C4F4), 2,3-PHNZ(C4HF3), and 1,2:6,7-PHNZ(C4F8)(C4F4), which are formally tri- or tetrafluoro derivatives of benzo[a]phenazine. Single-crystal X-ray diffraction structures of these compounds demonstrate the planarity of 2,3-PHNZ(C4F4) and 2,3-PHNZ(C4HF3) and ordered p-stacking in 1,2-PHNZ(C4HF3), 1,2-PHNZ(C4F4), 1,2-PHNZ(C4F8), and 2,3-PHNZ(C4F8). Low-temperature gas-phase photoelectron spectra of the PHNZ(C4F8)1,2 compounds show that they are strong electron acceptors, with the three PHNZ(C4F8)2 isomers having electron affinities exceeding that of C60. Cyclic voltammetry in acetonitrile show that the five PHNZ(C4F8)1,2 compounds exhibit reversible one-electron reductions with large positive shifts in their reduction potentials relative to unsubstituted PHNZ. Spectroelectrochemical absorption and EPR spectra of PHNZ(C4F8)1,2- • anion radicals and extensive DFT calculations revealed the significant role that the different substitution patterns have on determining the optoelectronic properties of the PHNZ(C4F8)1,2 derivatives and PHNZ(C4F8)1,2- • anion radicals. Time-resolved microwave conductivity measurements and photoluminescence spectra of blends of the PHNZ(C4F8)1,2 derivatives with the donor poly(3-hexylthiophene) (P3HT) were recorded to assess the possible use of the new compounds in optoelectronic devices.

Balser, Sebastian

Gas permeation properties of amorphous zeolitic imidazolate framework membranes made by atomic/molecular layer deposition

Amorphous metal-organic framework (MOF) membranes are desirable because they may retain some of the molecular sieving properties of their crystalline counterparts while being free of grain boundary defects, which often hinder the consistent achievement of high membrane performance. However, current methods, like melting and compression, for fabricating amorphous MOF membranes involve multi-step processes that require the formation of a crystalline membrane first, that is then amorphized, and therefore, could be challenging to scale. Here, we utilize atomic/molecular layer deposition (ALD/MLD) of diethylzinc (DEZ) and 2-methylimidazole (2mIm) to directly synthesize ultrathin amorphous zeolitic imidazolate framework (aZIF) deposits on γ-alumina-coated α-alumina supports. As the number of ALD/MLD cycles increased from 10 to 300, gas permeances decreased while ideal selectivities increased. Mixture separation factors for C3H6/C3H8, CO2/N2, and H2/C3H8 as high as 4, 37, and 194, respectively, were obtained. At 200 °C and 2.5 bar equimolar feed of H2 and C3H8, a H2/C3H8 mixture separation factor of 185 is obtained with an H2 permeance of ca. 4.15x10-8 mol/m2-s-Pa (124 GPU). Additionally, the membrane achieves a CO2/N2 mixture separation factor of 37 at 25 °C and 1 bar with a CO2 permeance of ca. 3.96x10-8 mol/m2-s-Pa (118 GPU). Considering the vast array of compositionally distinct aZIFs that can be potentially deposited by this approach, an enormously large parameter space for membrane design is emerging to be explored.

36 MATERIALS SCIENCE

Mathematical Storage-Battery Models

Empirical formula represents performance of electrical storage batteries. Formula covers many battery types and includes numerous coefficients adjusted to fit peculiarities of each type. Battery and load parameters taken into account include power density in battery, discharge time, and electrolyte temperature. Applications include electric-vehicle "fuel" gages and powerline load leveling.

Chapman, C. P.

Reconstruction and Dissolution of Copper Catalysts during Electrocatalytic Nitrate Reduction

Copper-based electrocatalysts are widely explored for electrochemical nitrate remediation, yet their stability under operating conditions remains poorly understood. While nanoscale and subnanoscale Cu motifs are known to restructure during the nitrate reduction reaction (NO 3 RR), how these transformations translate into irreversible material loss remains unclear. Here, we quantify Cu dissolution during NO 3 RR as a function of catalyst architecture and electrolyte chemistry using two model systems: single-atom Cu (Cu 1 ) and Cu nanoparticles (Cu NP ). Time-resolved leaching measurements, integrated with in situ X-ray absorption spectroscopy (XAS), reveal measurable Cu loss for both catalysts during NO 3 RR. Dissolution is concentrated at the initiation of electrolysis, coinciding with rapid restructuring, and depends strongly on morphology, with Cu NP consistently exhibiting greater Cu loss than Cu 1 . In situ XAS reveals that Cu 1 forms transient metallic clusters under reduction that largely redisperse upon returning to open-circuit voltage, whereas Cu NP undergoes reduction of an oxidized surface layer accompanied by sustained Cu loss during electrolysis. Notably, the presence of nitrate significantly intensifies restructuring and Cu loss, highlighting the critical role of electrolyte composition. Furthermore, these findings establish a direct link between electrochemical restructuring and Cu dissolution, unveiling electrolyte-dependent interactions as key determinants of catalyst durability in electrochemical nitrate conversion.

36 MATERIALS SCIENCE

Research Summary No. 36-8 for the Period February 1, 1961 to April 1, 1961

The Research Summary is a report of supporting research and development activities at the Jet Propulsion Laboratory, California Institute of Technology. This bimonthly periodical is usually published in two volumes. However, for this issue, all the material has been combined into one volume. To foster a more rapid interchange of original ideas and information throughout the scientific and technical community, all authors' names have been added as bylines to the material they contributed.

Telecommunication

High Pressure Synthesis of Ultrasmall Nanodiamonds with Nitrogen Vacancy Centers

C–H terminated nanometer scale diamonds ( d = 1 to 15 nm) are synthesized from 1-fluoroadamantane at high pressure (6–8 GPa) and high temperature (500–1500 °C) in a multianvil press. High resolution transmission electron microscopy, X-ray diffraction, Raman, diffuse reflectance Fourier transform infrared, and X-ray absorption spectroscopies demonstrate the excellent crystallinity and atomically flat C–H terminated surfaces of nanodiamonds with (111) and (110) facets. The importance of hydrogen to the synthesis of nanodiamond and its faceting is discussed. Following vacancy generation, annealing and oxidation of the nanodiamonds, optically detected magnetic resonance and electron spin resonance coherence times ( T 2 = 0.9 and 2.1 μs) of nitrogen vacancy (NV) centers are measured. Finally, the obtained T 2 values are equivalent to the shallow NV centers (depth <10 nm) in bulk diamond crystals and larger nanocrystals prepared by mechanical milling.

36 MATERIALS SCIENCE

Domestically Manufactured Fuel Cells for Heavy Duty Applications

This project, funded by the U.S. Department of Energy under Award DE-EE0009248, advances the domestic development of fuel-cell stack technologies for heavy-duty transportation applications. The work directly supports the Million-Mile Fuel Cell Truck (M2FCT) initiative by improving performance, durability, and manufacturability—key requirements for next-generation hydrogen fuel-cell systems.

08 HYDROGEN

Comparison between the PISO algorithm and preconditioning methods for compressible flow

Two widely used family of algorithms, pressure-based and density-based methods, have been developed for computational fluid dynamics (CFD) problems over the years. Pressure-based methods (such as SIMPLE and PISO) use a Poisson-like equation for updating pressure instead of the continuity equation, while density-based methods use the continuity equation to update density (an equation of state is used to provide density in pressure based schemes and pressure in density based schemes). Pressure-based methods were developed originally for incompressible flows at low Reynolds numbers and were then extended to high Reynolds numbers and compressible applications. On the other hand, density based methods were originally developed for transonic flows and have been extended down to low Mach numbers through the use of preconditioning techniques. We compare these two very different approaches to solving the Navier-Stokes equations in order to gain an understanding of their similarities and differences. Specifically, we consider the PISO scheme as a representative pressure-based method and contrast it with a recently developed preconditioning scheme. We also compare the relative performance of the PISO algorithm with a Euler implicit algorithm that is employed to solve the preconditioned equations by means of a vector stability analysis.

Charles L Merkle

The Trash Compaction Processing Systems (TCPS) Ground Unit Control Sample Testing

The Trash Compaction Processing System (TCPS) is being developed by NASA and Sierra Space to process crew trash for long-duration missions. The system compacts and thermally processes mixed spacecraft waste to reduce volume and stabilize the material while managing gas and liquid effluents. A Ground Unit (GU) located at Sierra Space in Madison, Wisconsin was used to run a series of tests using standardized control samples representing different trash conditions, including nominal, high liquid, high cloth, benign, and foam. Gas grab samples were collected during processing and analyzed to identify the compounds present in the effluent stream and compare the concentrations to the NASA spacecraft maximum allowable concentrations (SMACs). Additional testing included odor testing at White Sands Test Facility, aerosol measurements, microbiology, and tile characterization. Overall, the compounds detected in the gas samples were well below the SMAC limits for all trash models tested. The results from this testing are being used to help guide the verification approach and test planning for the TCPS Flight Unit that is planned for on-orbit testing on the International Space Station.

Control Samples

Al/Cl2 molten salt battery

Molten salt battery has been developed with theoretical energy density of 5.2 j/kg (650 W-h/lb). Battery, which operates at 150 C, can be used in primary mode or as rechargeable battery. Battery has aluminum anode and chlorine cathode. Electrolyte is mixture of AlCl3, NaCl, and some alkali metal halide such as KCl.

Giner, J.

Time-History Statistics of Soot Formation in A Model Gas Turbine Combustor

Soot formation is a complex dynamic and intermittent process determined by properties of the fuel, combustor design, and combustor operation. Although the major steps in soot formation (i.e., formation of precursors, inception, growth and evolution) are similar for a variety of carbonaceous fuels, applications, and operating conditions, it remains unclear when the temporal transition between these steps occurs. An engineering prediction tool coupled with computational fluid physics (CFD), therefore needs to accurately model all these complex steps. To develop such a model, we propose the time-history concept for understanding the time dependency of soot formation as a function of local properties (i.e., temperature, velocity, local fuel air ratio, etc.). We continue our previous work with modeling the DLR aero-combustor [1] with our updated in-house CFD code, Open National Combustion Code (OpenNCC), that now includes a Multiple Time-Scale Flamelet Progress Variable approach and a the semi-empirical two-equation soot model. We injected massless tracer particles upstream of the injector region of the combustor to collect time-history statistics of the solution variables. The correlations between the collected statistics with respect to the experimental soot volume fraction data showed that time-history effect of certain flow variables, including turbulent kinetic energy (TKE), and multiple species is indeed important for soot formation. We then conducted a time-history based correlation analysis to determine the key species and the concentration ranges critical for soot formation (C6H5-based nucleation, acetylene-based surface growth, and oxidation with OH and O2). Based on the time-history correlation coefficient (THCC) analysis, we propose possible modifications to improve the current two-equation model.

LES

SCOAPE-II: A 2024 Multiplatform Measurement Campaign off the US Gulf Coast to Assess Oil and Gas Emissions on the Outer Continental Shelf

Nine years ago, the Department of Interior’s Bureau of Ocean Energy Management (BOEM), the Agency with Air Quality (AQ) jurisdiction over the Outer Continental Shelf (OCS) of the US Gulf Coast west of 87.5° W longitude, asked NASA to determine the feasibility of using satellite data to measure offshore emissions in a region of concentrated oil and natural gas (ONG) operations. To study this issue NASA and BOEM conducted the May 2019 Satellite Coastal and Oceanic Atmospheric Pollution Experiment (SCOAPE) cruise in the Gulf. SCOAPE addressed both technological and scientific issues related to measuring nitrogen dioxide (NO 2 , a common air pollutant), including contrasting near-shore and deepwater regimes. Given the April 2023 launch of the geostationary Tropospheric Emissions: Monitoring of Pollution (TEMPO) AQ satellite, a 2024 SCOAPE-II was conducted in the Gulf with both ship and aircraft measurements. We present an overview of the SCOAPE-II campaign, analysis and validation of satellite-observed NO 2 , and evaluate measurements of methane from ship, aircraft, and satellite near ONG platforms. Our SCOAPE-II results are as follows: 1) Satellite NO 2 measurements (∼13:30 local time) from the TROPOspheric Monitoring Instrument (TROPOMI) are more accurate than TEMPO’s hourly scans (8.6% vs. 23.6% mean absolute bias); a new version of TEMPO data is currently being processed; 2) ship and aircraft measurements captured dozens of NO 2 and methane plumes from ONG operations, showing that they are persistent emitters; 3) satellite measurements of methane failed to replicate ship and aircraft measurements, presenting ongoing challenges for operational emissions monitoring over the Gulf.

satellite validation

Enhancing cathode composites with conductive alignment synergy for solid-state batteries

Enhancing transport and chemomechanical properties in cathode composites is crucial for the performance of solid-state batteries. Our study introduces the filler-aligned structured thick (FAST) electrode, which notably improves mechanical strength and ionic/electronic conductivity in solid composite cathodes. The FAST electrode incorporates vertically aligned nanoconducting carbon nanotubes within an ion-conducting polymer electrolyte, creating a low-tortuosity electron/ion transport path while strengthening the electrode’s structure. This design not only mitigates recrystallization of the polymer electrolyte but also establishes a densified local electric field distribution and accelerates the migration of lithium ions. The FAST electrode showcases outstanding electrochemical performance with lithium iron phosphate as the active material, achieving a high capacity of 148.2 milliampere hours per gram at 0.2 C over 100 cycles with substantial material loading (49.3 milligrams per square centimeter). This innovative electrode design marks a remarkable stride in addressing the challenges of solid-state lithium metal batteries.

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