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At least 1,567 records · Page 87

Phase transformation during mechano-synthesis of nanocrystalline/amorphous Fe–32Mn–6Si alloys

Mechano-synthesis of Fe–32Mn–6Si alloy by mechanical alloying of the elemental powder mixtures was evaluated by running the ball milling process under an inert argon gas atmosphere. In order to characterize the as-milled powders, powder sampling was performed at predetermined intervals from 0.5 to 192 h. X-ray florescence analyzer, X-ray diffraction, scanning electron microscope, and high resolution transmission electron microscope were utilized to investigate the chemical composition, structural evolution, morphological changes, and microstructure of the as-milled powders, respectively. According to the results, the nanocrystalline Fe–Mn–Si alloys were completely synthesized after 48 h of milling. Moreover, the formation of a considerable amount of amorphous phase during the milling process was indicated by quantitative X-ray diffraction analysis as well as high resolution transmission electron microscopy image and its selected area diffraction pattern. It was found that the α-to-γ and subsequently the amorphous-to-crystalline (especially martensite) phase transformation occurred by milling development. - Graphical abstract: Mechano-synthesis of nanocrystalline/amorphous Fe–32Mn–6Si shape memory alloys in the powder form: amorphous phase formation, α-to-γ phase transformation, mechano-crystallization of the amorphous, and martensite phase formation during the process. Highlights: • During MA, the α-to-γ phase transformation and amorphization occurred. • Mechano-crystallization of the amorphous phase occurred at sufficient milling time. • The formation of high amount of ε-martensite was evidenced at high milling times. • The platelet, spherical, and then irregular particle shapes was extended by MA. • By MA, the particles size was increased, then reduced, and afterward re-increased.

36 MATERIALS SCIENCE↗

2.2.3.106 - Lignin-First Biorefinery Development

The Lignin-First Biorefinery Development (LigFirst) project aims to develop a cost-effective, and scalable biomass fractionation strategy based on reductive catalytic fractionation (RCF). The RCF process uses a protic solvent, hydrogen gas or a hydrogen donor, and a metal catalyst in the presence of intact biomass to produce a stable, depolymerized lignin oil and a polysaccharide pulp, which can both be converted to value-added products in parallel processes. RCF is a promising strategy to enable the use of woody feedstocks in biochemical conversion processes and is also promising as a means to valorize lignin with equal emphasis to biomass carbohydrates. Guided by techno-economic analysis and life cycle assessment and in collaboration with industry partners, we are actively developing RCF methods to 1) avoid the need for exogenous hydrogen gas, 2) substantially reduce reactor pressure via use of low vapor pressure solvents, 3) separate the lignin solvolysis and catalytic processes through reaction engineering solutions, 4) reduce solvent loading below what can be achieved in typical batch reactors, and 5) avoid or minimize the use of organic solvents. The LigFirst project also collaborates closely with the Lignin Utilization and Lignin Conversion-to-SAF projects for critical substrate handoffs and analytics. Overall, the LigFirst project is enabling new approaches that ultimately can enable RCF to be a feedstock-agnostic method to valorize both polysaccharides and lignin.

BIOMASS FUELS↗

Description of the Process Model for the Technoeconomic Evaluation of MEA versus Mixed Amines for Carbon Dioxide Removal from Stack Gas

This model description is supplemental to the Lawrence Livermore National Laboratory (LLNL) report LLNL-TR-642494, Technoeconomic Evaluation of MEA versus Mixed Amines for CO2 Removal at Near- Commercial Scale at Duke Energy Gibson 3 Plant. We describe the assumptions and methodology used in the Laboratory’s simulation of its understanding of Huaneng’s novel amine solvent for CO2 capture with 35% mixed amine. The results of that simulation have been described in LLNL-TR-642494. The simulation was performed using ASPEN 7.0. The composition of the Huaneng’s novel amine solvent was estimated based on information gleaned from Huaneng patents. The chemistry of the process was described using nine equations, representing reactions within the absorber and stripper columns using the ELECTNRTL property method. As a rate-based ASPEN simulation model was not available to Lawrence Livermore at the time of writing, the height of a theoretical plate was estimated using open literature for similar processes. Composition of the flue gas was estimated based on information supplied by Duke Energy for Unit 3 of the Gibson plant. The simulation was scaled at one million short tons of CO2 absorbed per year. To aid stability of the model, convergence of the main solvent recycle loop was implemented manually, as described in the Blocks section below. Automatic convergence of this loop led to instability during the model iterations. Manual convergence of the loop enabled accurate representation and maintenance of model stability.

01 COAL, LIGNITE, AND PEAT↗

A Collection of More than 900 Gas Mixture Adsorption Experiments in Porous Materials from Literature Meta-Analysis

Information on mixture adsorption equilibrium is vital in developing adsorption-based separation processes. Because measuring mixture adsorption is more difficult than measuring single-component adsorption, far more data of the latter kind are available. Previous efforts to compile experimental mixture adsorption data for gases have given data sets with at most a few dozen examples. Here, we report the results of systematic literature meta-analysis that produced a data set of more than 900 gas mixture adsorption experiments. This collection includes data from 125 different binary mixtures including 60 different molecular species and information from 333 different adsorbents. We refer to this data set as the Binary adsorption ISOtherm ExperimeNtal 2020 (BISON-20) Database. Because the BISON-20 data set enormously expands the number and variety of experimental results for binary gas adsorption that are readily available, it will be a useful resource for future efforts in developing new materials or processes for gas separations. As initial applications of the BISON-20 data set, we show how identifying replicate measurements can be used to assess the reliability of binary adsorption data, how the accuracy of Ideal Adsorbed Solution Theory (IAST) can be systematically tested using experimental data, and how trends in selectivity for gas separations across many materials can be examined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic field influenced electron-impurity scattering and magnetotransport

We formulate a classical theory ($ω_cτ ≲ 1$ with $ω_c$ as the cyclotron frequency and $\tau$ as the relaxation time) to study the influence of perpendicular magnetic field on the electron-impurity scattering process in two-dimensional electron gas. To describe the curved incoming and outgoing trajectories, we introduce a general recipe based on an abstraction of the actual impurity scattering process to define the scattering parameters such as the incoming and outgoing momentum and coordinate jump. In this picture, we can conveniently describe the skew scattering and coordinate jump, which will eventually modify the Boltzmann equation. In this work, we find an anomalous Hall resistivity different from the conventional Boltzmann-Drude result and a negative magnetoresistivity as a parabolic function of magnetic field. The origin of these results is analyzed. The relevance between our theory and recent simulation and experimental works is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Design, Development, and Operation of an Integrated Fluidized Carbon Capture Unit Using Polyethylenimine Sorbents

In this paper, we present the design, development, and operation of a reactor system for CO 2 capture. Modifications were implemented to address differences in sorbent from 180 μm Geldart group B to 115 μm Geldart group A material; operational issues were discovered during experimental trials. The major obstacle in system operation was the ability to maintain a constant circulation of a solid sorbent stemming from this change in sorbent material. The system consisted of four fluid beds, through which a polyamine impregnated sorbent was circulated and adsorption, preheat, regeneration, and cooling processes occurred. Pressure transducers, thermocouples, gas flow meters, and gas composition instrumentation were used to characterize thermal, hydrodynamic, and gas adsorption performance in this integrated unit. A series of shakedown tests were performed and the configuration altered to meet the needs of the sorbent performance and achieve desired target capture efficiencies. Methods were identified, tested, and applied to continuously monitor critical operating parameters including solids circulation rate, adsorbed and desorbed CO 2 , solids inventories, and pressures. The working capacity and CO 2 capture efficiency were used to assess sorbent performance while CO 2 closure was used to define data quality and approach to steady-state. Testing demonstrated >90% capture efficiencies and identified the regenerator to be the process step limiting throughput. Sorbent performance was found to be related to the reactant stoichiometry. Finally, a stochastic model with an exponential dependence on the relative CO 2 /amine concentration was used to describe 90% of the variance in the data.

01 COAL, LIGNITE, AND PEAT↗

SUB-ALFVENIC NON-IDEAL MAGNETOHYDRODYNAMIC TURBULENCE SIMULATIONS WITH AMBIPOLAR DIFFUSION. III. IMPLICATIONS FOR OBSERVATIONS AND TURBULENT ENHANCEMENT

Ambipolar diffusion (AD) is believed to be a crucial process for redistributing magnetic flux in the dense molecular gas that occurs in regions of star formation. We carry out numerical simulations of this process in regions of low ionization using the heavy-ion approximation. The simulations are for regions of strong field (plasma {beta} = 0.1) and mildly supersonic turbulence (M=3, corresponding to an Alfven Mach number of 0.67). The velocity power spectrum of the neutral gas changes from an Iroshnikov-Kraichnan spectrum in the case of ideal MHD to a Burgers spectrum in the case of a shock-dominated hydrodynamic system. The magnetic power spectrum shows a similar behavior. We use a one-dimensional radiative transfer code to post-process our simulation results; the simulated emission from the CS J = 2-1 and H{sup 13}CO{sup +} J = 1-0 lines shows that the effects of AD are observable in principle. Linewidths of ions are observed to be less than those of neutrals, and we confirm previous suggestions that this is due to AD. We show that AD is unlikely to affect the Chandrasekhar-Fermi method for inferring field strengths unless the AD is stronger than generally observed. Finally, we present a study of the enhancement of AD by turbulence, finding that AD is accelerated by factor 2-4.5 for non-self-gravitating systems with the level of turbulence we consider.

79 ASTRONOMY AND ASTROPHYSICS↗

Effect of Through-Thickness Friction Stir Processing Parameters on Weld Repair and Modification of Fusion-Welded AA6061 Aluminum Alloy

Through-thickness friction stir processing was successfully carried out for microstructure modification and elimination of fusion defects of the gas metal arc welds by applying the process on as-welded joints. Variation in rotational speed from 750 to 1050 rpm and traveling speed from 50 to 200 mm/min resulted in minor changes (approximately 1 µm) in the grain size of nugget zone, while this variation in elongation result was up to 40%. The hardness profile, the width of softening zone, minimum hardness and fracture location also changed for different processing conditions. Furthermore, the defects were vanished efficiently across the welds profile by this method. The results also verified the geometric dynamic recrystallization phenomena as a dominant mechanism of microstructural modification.

36 MATERIALS SCIENCE↗

Design and development of a four-cell sorption compressor based J-T cooler using R134a as working fluid

The need of a cooler with no electromagnetic interference and practically zero vibration has led to sorption compressor based Joule-Thomson (J-T) coolers. These are useful for sophisticated electronic, ground based and space borne systems. In a Sorption compressor, adsorbed gases are desorbed into a confined volume by raising temperature of the sorption bed resulting in an increase in pressure of the liberated gas. In order to have the system (compressor) functioning on a continuous basis, with almost a constant gas flow rate, multiple cells are used with the adaptation of Temperature Swing Adsorption (TSA) process. As the mass of the desorbed gas dictates the compressor throughput, a combination of sorbent material with high adsorption capacity for a chosen gas or gas mixture has to be selected for efficient operation of the compressor. Commercially available (coconut-shell base) activated carbon has been selected for the present application. The characterization study for variation of discharge pressure is used to design the Four-cell sorption compressor based cryocooler with a desired output. Apart from compressor, the system includes a) After cooler b) Return gas heat exchanger c) capillary tube as the J-T expansion device and d) Evaporator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Improvements on the Diagnostic Residual Gas Analyzer at Wendelstein 7-X

Exhaust gas analysis provides key information on fusion processes, divertor operation, and wall state in fusion experiments and future reactors. The diagnostic residual gas analyzer (DRGA) concept has been developed for ITER with a focus on fast helium and hydrogen isotope detection. The first operation of the prototype DRGA (P-DRGA) at the stellarator Wendelstein 7-X showed potential for improvement in terms of magnetic sensor shielding, data acquisition automation, and potential new additions to the cluster of sensors on the P-DRGA. More recently, a Monte Carlo simulation of the flow of the mixed gas species effluent from the pressure-reducing orifice, down to about 8-m sampling tube and into the analysis region of the sensors, has been found to generally agree with previous calculations and measurements but revealed potential back-streaming effects for light gases, with impact on detection limits both for the prototype and for the ITER DRGA currently in design. For the upcoming campaign of the prototype, an enhanced soft iron shield will safeguard the gauges against magnetic stray field influence. The newly introduced shielding has been tested for its effect on magnetic stray fields and found to reduce the inside residual field by about two orders of magnitude.

Schlisio, G↗

Remote methane sensor for emissions from pipelines and compressor stations using chirped-laser dispersion spectroscopy

Leak rates of methane (CH 4 ) from the natural gas supply chain result in lost profit from unsold product, public safety and property concerns due to potential explosion hazards, and a potentially large source of economic damages from legal liabilities. Yet large measurement challenges exist in identifying and quantifying CH 4 leak rates along the vast number and type of components in the natural gas supply chain. This is particularly true of the “midstream” components involved in the gathering, processing, compression, transmission, and storage of natural gas. This project developed and deployed new advances in chirped laser dispersion spectroscopy (CLaDS) to detect methane leaks from pipelines, compressor stations, and other midstream infrastructure from a remote position (standoff detection). The system was deployed from a van to measure fugitive methane leaks from a local compressor station as a proof-of-concept. The technique was validated through mobile laboratory measurements with in-situ sensors as well as controlled releases of methane. The system also mapped a plume from a controlled release of methane by tracking a small unmanned aerial system (sUAS) that carried a corner cube retroreflector which reflected the beam back to the instrument. The drone-based system quantified a leak rate to within 30% of the actual rate and localized the emission location within 5 m of the actual release location at standoff distances of 25-45 m. This sUAS-reflector tracking approach has benefits for mapping leak locations remotely using small drones flying around a facility. Benefits of a commercial sensor with these capabilities include reductions of leaks for pipeline operators (more profit), earlier detection of leaks to avoid catastrophic explosion hazards for public health and to mitigate property damage, and reduced methane emissions to the atmosphere (improving air quality).

03 NATURAL GAS↗

Co-processing catalytic fast pyrolysis oil in an FCC reactor

Here, studies of co-processing catalytic fast pyrolysis (CFP) oil with vacuum gas oil (VGO) are conducted in a Davison Circulating Riser (DCR). The CFP oil (CFPO) for this study was produced by upgrading fast-pyrolysis vapors from pine in an ex-situ fixed-bed reactor. CFPOs were co-processed at up to a volume fraction of 0.05 with VGO at 521 degrees C and 257 kPa. The yields of oil, aqueous phase, tail gas, and coke were measured. The amount of coke was determined from the carbon containing components in the regenerator flue gas. A compositional analysis was conducted with gas chromatography and elemental analyzers. The organic liquids were distilled into gasoline, jet-fuel, diesel, and resid fractions. A biocarbon analysis was conducted on the organic phase and its individual boiling-point fractions. The results show a small decrease in liquid yield and a generally increased gas yield when co-processing CFPO with VGO. The experiments showed that 75%-100% of biocarbon is incorporated into liquid fuels relative to fossil carbon, depending on catalyst and CFPO. The measurements indicate that cracked CFPO components are predominantly included in the jet-fuel and diesel fractions. A techno-economic analysis (TEA) estimated the minimum fuel selling price (MSFP) for fuel-range products derived from FCC co-processing of CFPO at 24 to 29 $\$$/GJ ($\$$2.90 to $\$$3.50 per gasoline-gallon equivalent; GGE) at a yield of 4.87-7.14 GJ/t(biomass) or 40-58 GGE/t.

09 BIOMASS FUELS↗

Flow Induced Vibration Studies in Pressurized Helium Gas Cooling Channels

Production of metastable Technetium-99 (Tc-99m), a radioactive tracer that emits gamma rays, is vital to the medical imaging community. Tc-99m is extracted from the decay of Molybdenum-99 (Mo-99) which has a half-life of about 2-3 days. The work presented in this report is part of the NNSA’s mission to produce Mo-99 commercially, within the US, without the use of highly enriched uranium (HEU) in support of nonproliferation and global security. Los Alamos National Laboratory (LANL) is working with NorthStar Medical Radioisotopes (NMR) on their efforts to produce Mo-99 through the irradiation of Mo-100 targets using an electron beam. The NMR target comprises a stack of approximately 60-70 Mo-100 disks with diameter 24 mm and thickness 0.74 mm held in stainless steel laminations, each separated using 0.25 mm thick stainless steel spacers. The symmetric target stack is housed in an Inconel vessel with two Inconel windows on either side. Two electron accelerators are used to produce 40 MeV, 3.16 µA electron beams each that penetrate the Inconel windows and irradiate the Mo-100 disks. Approximately 90% of the total 250 kW beam power is deposited in the NMR target during the irradiation process. During irradiation, pressurized helium gas flows through 0.25 mm thin gaps between the disks cooling the beam window, target disks, disk laminations and spacers. Both NMR and LANL have found during cold testing of the target system (no heat deposition) that the Mo-100 disks undergo significant mass loss and disk breakage due to vibrations induced by the flowing helium gas. The mass loss is not only undesirable due to monetary loss from reduced final quantities of Mo-99, but also due to the hazards associated with radioactive material trapped in the cooling lines and particle filters. The effect of flow rate and target geometry on the flow induced vibrations need to be quantified, and recommendations provided to minimize this mass loss. This work describes LANL’s experimental characterization of the flow induced vibrations and disk mass loss in a reduced scale set-up containing 10 Mo-100 disks. We use high speed imaging, displacement measurements and microphone measurements combined with signal processing to estimate the vibration frequency of each disk. The effect of disk thickness, target fit and duration of testing on the mass loss is described. We find that in the current configuration of NMR targets, the vibrations and mass loss on the first disk are minimized, while those in the adjacent disks are highest. The microphone and high-speed image data show that increased flow rates and increased duration of testing increases vibration frequency and mass loss. The mass loss is due to both disk rotation and back and forth motion. There are visible wear marks on the disks with the highest mass loss. We also note that the current NMR window gap reduces flow induced vibrations compared to the previous smaller gaps. Longer duration testing will provide more data and verification for the findings presented in this report. The work will be continued in FY 24.

43 PARTICLE ACCELERATORS↗

Proton affinities of pertechnetate (TcO 4 - ) and perrhenate (ReO 4 - )

The anions pertechnetate, TcO 4 - , and perrhenate, ReO 4 - , exhibit very similar chemical and physical properties. Revealing and understanding disparities between them enhances fundamental understanding of both. Electrospray ionization generated the gas-phase proton bound dimer (TcO 4 - )(H + )(ReO 4 - ). Collision induced dissociation of the dimer yielded predominantly HTcO 4 - and ReO 4 - , which according to Cooks’ kinetic method indicates that the proton affinity (PA) of TcO 4 - is greater than that of Re O 4 - . Density functional theory computations agree with the experimental observation, providing PA[TcO 4 - ] = 300.1 kcal mol -1 and PA[ReO 4 - ] = 297.2 kcal mol -1 . Attempts to rationalize these relative PAs based on elementary molecular parameters such as atomic charges indicate that the entirety of bond formation and concomitant bond disruption needs to be considered to understand the energies associated with such protonation processes. Although in both the gas and solution phases, TcO 4 - is a stronger base than ReO 4 - , it is noted that the significance of even such qualitative accordance is tempered by the very different natures of the underlying phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

BETO 2021 Peer Review - Waste Carbon Gas Upgrading via Acetogens 2.3.2.106

Waste carbon gas represents a large and diverse set of feedstocks that could be captured and turned into useful products. This includes waste gas emitted from industrial activity, syngas from burned plant biomass or processed municipal waste, and electrochemical reduction of CO2. Currently, carbon gas is being microbially converted to ethanol as a main product. However, ethanol is a lower value product with a limited market size. While these microbes can make other higher value products, there are no commercial processes for generating these other products, leaving a gap in understanding potential implementation for commercialization. Expanding the products microbially produced from waste carbon gas requires several steps before commercial implementation. We are studying the acetogen Clostridium ljungdahlii as a biocatalyst to convert waste carbon gas to the chemical 3-hydroxybutyrate (3HB), a plastic monomer and fuel precursor. For that, we are studying and engineering microbial characteristics for novel 3HB product formation from waste gas streams. This includes metabolic characterization, genetic engineering, gas fermentation scaling, as well as technoeconomic and life cycle analysis.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Spatially resolved gas and stellar kinematics in compact starburst galaxies

The kinematics of galaxies provide valuable insights into their physics and assembly history. Kinematics are governed not only by the gravitational potential, but also by merger events and stellar feedback processes such as stellar winds and supernova explosions. We aim to identify what governs the kinematics in a sample of SDSS-selected nearby starburst galaxies, by obtaining spatially resolved measurements of the gas and stellar kinematics. We obtained near-infrared integral-field K-band spectroscopy with VLT/SINFONI for 15 compact starburst galaxies. We derived the integrated as well as spatially resolved stellar and gas kinematics. The stellar kinematics were derived from the CO absorption bands, and Paα and Brγ emission lines were used for the gas kinematics. Based on the integrated spectra, we find that the majority of galaxies have gas and stellar velocity dispersion that are comparable. A spatially resolved comparison shows that the six galaxies that deviate show evidence for a bulge or stellar feedback. Two galaxies are identified as mergers based on their double-peaked emission lines. In our sample, we find a negative correlation between the ratio of the rotational velocity over the velocity dispersion (v rot /σ) and the star formation rate surface density. We propose a scenario where the global kinematics of the galaxies are determined by gravitational instabilities that affect both the stars and gas. This process could be driven by mergers or accretion events. Effects of stellar feedback on the ionised gas are more localised and detected only in the spatially resolved analysis. The mass derived from the velocity dispersion provides a reliable mass even if the galaxy cannot be spatially resolved. The technique used in this paper is applicable to galaxies at low and high redshift with the next generation of infrared-focussed telescopes (JWST and ELT).

79 ASTRONOMY AND ASTROPHYSICS↗

Critical mineral source potential from oil & gas produced waters in the United States

The volume of produced water, a by-product of oil & gas operations and other energy processes, has been growing across the United States (U.S.) along with the need to manage or recycle this wastewater. Produced water contains many naturally occurring elements of varying concentrations, including critical minerals which are essential to the clean energy transition. However, the current understanding of critical mineral concentrations in produced water and the associated volumes across the U.S. is limited. This study has assessed available databases and literature to gain insight into the presence and concentration of five high priority critical minerals, namely cobalt, lithium, magnesium, manganese, and nickel. The U.S. Geological Survey's National Produced Waters Geochemical Database was the main data source used for determining average critical mineral concentrations in produced water from the major oil and gas reservoirs in the U.S. The volumes of produced water for these major reservoirs were coupled with these concentrations to provide insights into where critical minerals are likely to have high abundance and therefore more recovery options. The analysis indicated the highest recovery potential for lithium and magnesium from produced water in the Permian basin and the Marcellus shale region. However, these assessments should be considered conservative due to the limited availability of reliable concentration data. Finally, it is expected more critical mineral recovery options could emerge with comprehensive characterization data from more recent and representative sources of produced water.

54 ENVIRONMENTAL SCIENCES↗

Renewable energy carriers derived from concentrating solar power and nonstoichiometric oxides

In this study, we offer a perspective on the current state of material research in a part of the solar fuels community that exploits process heat derived from concentrated solar energy to power simple thermochemical gas-splitting cycles. The working fluid in this process is a nonstoichiometric oxide subject to extreme conditions that repeatedly distorts the lattice by forcing oxygen atoms to move in and out of the crystal. This technology is currently challenged by a need to discover optimal materials and derive robust processes to increase cycle efficiency. In the realm of emerging technologies for converting solar insulation to portable and storable energy carriers, this approach has already proven to be scalable with demonstrations that approach 100 kW. Innovations in materials and methods are required to increase solar utilization and process efficiency in order to achieve commercial viability.

14 SOLAR ENERGY↗