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NASA NTRS1998

Preference for internucleotide linkages as a function of the number of constituents in a mixture

Phosphoimidazolide-activated ribomononucleotides (*pN; see Scheme I) are useful substrates for the nonenzymatic synthesis of oligonucleotides. In the presence of metal ions dilute neutral aqueous solutions of *pN (0.01 M) typically yield only small amounts of dimers and traces of oligomers; most of *pN hydrolyzes to yield nucleoside 5'-monophosphate (5'NMP). An earlier investigation of *pN reactions in highly concentrated aqueous solutions (up to 1.4 M) showed, as expected, that the percentage yield of the condensation products increases and the yield of the hydrolysis product correspondingly decreases with *pN concentration (Kanavarioti 1997). Here we report product distributions in reactions with one, two, or three reactive components at the same total nucleotide concentration. *pN used as substrates were the nucleoside 5'-phosphate 2-methylimidazolides, 2-MeImpN, with N = cytidine (C), uridine (U), or guanosine (G). Reactions were conducted as self-condensations, i. e., one nucleotide only, with two components in the three binary U,C, U,G, and C,G mixtures, and with three components in the ternary U,C, G mixture. The products are 5'NMP, 5',5'-pyrophosphate-, 2',5'-, 3', 5'-linked dimers, cyclic dimers, and a small percentage of longer oligomers. The surprising finding was that, under identical conditions, including the same total monomer concentration, the product distribution differs substantially from one reaction to another, most likely due to changing intermolecular interactions depending on the constituents. Even more unexpected was the observed trend according to which reactions of the U,C,G mixture produce the highest yield of internucleotide-linked dimers, whereas the self-condensations produce the least and the reactions with the binary mixtures produce yields that fall in between. What is remarkable is that the approximately two-fold increase in the percentage yield of internucleotide-linked dimers is not due to a concentration effect or a catalyst, but to the increased complexity of the system from a single to two and three components. These observations, perhaps, provide an example of how increased complexity in relatively simple chemical systems leads to organization of the material and consequently to chemical evolution. A possible link between prebiotic chemistry and the postulated RNA world is discussed.

NASA Discipline Exobiology↗
NASA NTRS2017

Inter-Relationship Between Subtropical Pacific Sea Surface Temperature, Arctic Sea Ice Concentration, and the North Atlantic Oscillation in Recent Summers and Winters

The inter-relationship between subtropical western-central Pacific sea surface temperatures (STWCPSST), sea ice concentration in the Beaufort Sea (SICBS), and the North Atlantic Oscillation (NAO) are investigated for the last 37 summers and winters (1980-2016). Lag-correlation of the STWCPSST×(-1) in spring with the NAO phase and SICBS in summer increases over the last two decades, reaching r = 0.4-0.5 with significance at 5 percent, while winter has strong correlations in approximately 1985-2005. Observational analysis and the atmospheric general circulation model experiments both suggest that STWCPSST warming acts to increase the Arctic geopotential height and temperature in the following season. This atmospheric response extends to Greenland, providing favorable conditions for developing the negative phase of the NAO. SIC and surface albedo tend to decrease over the Beaufort Sea in summer, linked to the positive surface net shortwave flux. Energy balance considering radiative and turbulent fluxes reveal that available energy that can heat surface is larger over the Arctic and Greenland and smaller over the south of Greenland, in response to the STWCPSST warming in spring. XXXX Arctic & Atlantic: Positive upper-level height/T anomaly over the Arctic and Greenland, and a negative anomaly over the central-eastern Atlantic, resembling the (-) phase of the NAO. Pacific: The negative height/T anomaly over the mid-latitudes, along with the positive anomaly over the STWCP, where 1degC warming above climatology is prescribed. Discussion: It is likely that the Arctic gets warm and the NAO is in the negative phase in response to the STWCP warming. But, there are other factors (e.g., internal variability) that contribute to determination of the NAO phase: not always the negative phase of the NAO in the event of STWCP warming (e.g.: recent winters and near neutral NAO in 2017 summer).

Lim, Young-Kwon↗
NASA NTRSDate not supplied

A Holistic DSMC Transport Database for Re-Entry and Ablation Modeling

Hybrid simulation frameworks combining Computational Fluid Dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) are frequently employed to efficiently perform high-fidelity solutions of environments containing combined continuum/rarified flow. The use of DSMC, a stochastic, particle-based method, is necessary for high-Knudsen flow where continuum-based assumptions governing CFD break down. However, the DSMC methodology is generally very computationally inefficient to model the continuum regime. In a CFD/DSMC hybrid approach, obtaining an accurate, high-fidelity solution hinges on the consistent treatment of transport properties and the used thermo-chemical models employed within the two solvers. In principle, in regions where CFD and DSMC are both employed, the same gas mixture under the same conditions should have the same properties, regardless of simulation type. Observed differences should be due to non-equilibrium processes, rather than differences in physical models. While the transport models governing CFD and DSMC simulations are starkly different, they can effectively be linked via their use of reduced Chapman-Enskog collision integrals. In CFD, these integrals are typically stored as fitted polynomial expressions and used to directly compute gas transport properties via mixing rules or the full Chapman-Enskog formulation. In DSMC, they can be used to derive the collision parameters needed for the phenomenological collision cross-section models that govern particle interactions, via a Nelder-Mead optimization scheme. The goal of this work is to provide a unified DSMC transport database encompassing the vast majority of known gas species encountered during atmospheric entry, on Earth or any other Solar body. This goal is largely possible due to recently performed ab-initio quantum chemistry calculations. Combined with other high-fidelity literature sources, the planned database will consist of collision integral data for over 200 neutral and ionized species and over 17000 binary collisions. From these collision integrals, Nelder-Mead optimization is used to compute Variable Soft Sphere (VSS) collision model parameters for DSMC, fitted from 300 K to 20000 K. Initial comparisons of transport properties of relevant equilibrium gas mixtures show great agreement between CFD and DSMC-derived results. The completed database will be able to be readily applied to model binary collisions of any gas mixture containing the included species over the specified temperature range, making it a valuable tool for future planetary probe modeling efforts. An example is shown below. Equilibrium mixture transport properties for a 19-species Titan atmospheric model [4] are computed using both fitted VSS parameters and the original CFD collision integral values. Deviations in computed properties between the two approaches is less than 5% for the entire temperature range.

M R Gosma↗
DOE OSTI2024

A gyrokinetic simulation model for 2D equilibrium potential in the scrape-off layer of a field-reversed configuration

The equilibrium potential structure in the scrape-off layer (SOL) of the field-reversed configuration (FRC) can be affected by the penetration of edge biasing applied at the divertor ends. The primary focus of the paper is to establish a formulation that accurately captures both parallel and radial variations of the two-dimensional (2D) potential in SOL. The formulation mainly describes a quasi-neutral plasma with a logical sheath boundary. A full-f gyrokinetic ion model and a massless electron model are implemented in the GTC-X code to solve for the self-consistent equilibrium potential, given fixed radial potential profiles at the boundaries. The first essential point of this 2D model lies in its ability to couple radial and parallel dynamics stemming from resistive currents and drag force on ions. The model successfully recovers the fluid force balance and continuity equations. These collisional effects on 2D potential mainly appear through the density profile changes, modifying the potential through electron pressure gradient. This means an accurate prescription of electron density and temperature profiles is important in predicting the potential structure in the FRC SOL. The Debye sheath potential and the potential profiles applied at the boundaries can be additional factors contributing to the 2D variations in SOL. This comprehensive full-f scheme holds promise for future investigations into turbulent transport in the presence of the self-consistent 2D potential together with the non-Maxwellian distributions and open boundary conditions in the FRC SOL.

Physics↗
DOE OSTI2026

An implicit-explicit time splitting strategy for the far SOL plasma fluid model with DG-FEM discretization

We consider a far scrape-off layer (SOL) plasma fluid model of ions that is governed by a Braginskiitype model: a one-dimensional, nonlinear system of advection-diffusion equations coupled with a diffusion equation for neutral particles. Our motivation for studying this system arises from the coupling between the edge plasma and radio-frequency (RF) heating, where solving a far SOL plasma fluid model provides critical insights into edge plasma dynamics. Numerical simulations of plasma fluid models require advanced computational techniques to achieve both efficiency and accuracy, especially when resolving the boundary layer in magnetically confined plasmas. In this work, we propose an implicit-explicit time operator splitting strategy that allows for an efficient solution algorithm, where the diffusive terms are treated semi-implicitly requiring only a linear solve, while the advection part is handled explicitly using a strong-stability-preserving Runge-Kutta (SSP-RK3) scheme. This leads to a fully decoupled system in which the diffusion and advection sub-problems can be solved separately, simplifying the overall solution procedure and allowing for efficient parallelization, which is particularly relevant for exploring the impact of RF heating on the SOL plasma. The main challenge of the discretization is due to the strong coupling between diffusion and advection, particularly through the boundary conditions. This makes implementation of such a scheme in an accurate and stable manner nontrivial. We discuss in detail how to split the equations and manage boundary conditions to maintain stability and well-posedness for each subsystem. We also describe a spatial discretization approach, based on the discontinuous Galerkin finite element method (DG-FEM) and present numerical results for a one-dimensional system.

Burkovska, Olena [ORNL] (ORCID:0000000163101130)↗
DOE OSTI2022

Monopoles, exotic states and muon $$g-2$$ in TeV scale trinification

Abstract We study the low energy implications of a trinification model based on the gauge symmetry $$G= SU(3)_c \times SU(3)_L \times SU(3)_R$$ G = S U ( 3 ) c × S U ( 3 ) L × S U ( 3 ) R , without imposing gauge coupling unification. A minimal model requires two Higgs multiplets that reside in the bi-fundamental representation of G , and this is shown to be adequate for accommodating the Standard Model (SM) fermion masses and generate, via loop corrections and seesaw mechanism, suitable masses for the heavy neutral leptons as well as the observed SM neutrinos. We estimate a lower bound of around 15 TeV for the masses of the new down- type quarks that are required by the $$SU(3)_L \times SU(3)_R$$ S U ( 3 ) L × S U ( 3 ) R symmetry. We examine the resonant production at the LHC of the new gauge bosons, which leads to a lower bound of 16 TeV for the symmetry breaking scale of G . We also show how the muon $$g-2$$ g - 2 anomaly can be resolved in the presence of these new gauge bosons and the heavy charged leptons present in the model. Finally, the model predicts the presence of a topologically stable monopole carrying three quanta $$(6 \pi /e)$$ ( 6 π / e ) of Dirac magnetic charge and mass $$\gtrsim 160$$ ≳ 160 TeV. If new matter fields lying in the fundamental representations of G are included, the model predicts the presence of exotic leptons, mesons and baryons carrying fractional electric charges such as $$\pm e/3$$ ± e / 3 and $$\pm 2e/3$$ ± 2 e / 3 , fully compatible with the Dirac quantization condition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Optimal Hairpin Winding Configuration for EV Traction Motors to Enhance Active CMV Cancellation Capability of NPL.X Inverter

Active common-mode voltage (CMV) cancellation in neutral-point-less (NPL.X) inverter is an effective approach for reducing common-mode electromagnetic interference and alleviating voltage stress associated with high-speed switching in EV traction drives. However, the existing hairpin winding configuration often exhibits impedance imbalance due to slot leakage inductance and manufacturing constraints, limiting the effectiveness of active CMV cancellation. This paper investigates symmetric hairpin winding configurations for a dual-three-phase EV traction machine to improve impedance symmetry. Considering the manufacturing constraints of six-layer hairpin windings, four feasible symmetric winding configurations are analyzed. Two-dimensional finite-element analysis is performed to extract the impedance parameters of each configuration. The extracted impedance parameters are used to quantify the impedance mismatch between complementary phase pairs and evaluate its influence on active CMV cancellation. The results show that the fully interleaved winding configuration achieves perfectly balanced phase impedances with 0 % mismatch, whereas the mismatch in the other configurations ranges from approximately 2.4 % to 0.8 %. Consequently, the resulting total CMV overshoot is significantly suppressed to near zero voltage under high-voltage and high switching frequency operating conditions, demonstrating the importance of winding symmetry for maximizing the active CMV cancellation capability of the NPL.X inverter.

Lee, Kangbeen [Purdue Univ., West Lafayette, IN (U↗
DOE OSTI2022

E × B flow driven electron temperature bifurcation in a closed slot divertor with ion B × ∇ B away from the X-point in the DIII-D tokamak

An electron temperature bifurcation is observed in the small angle slot divertor, which has been developed to enhance neutral cooling across the divertor target by coupling a closed slot structure with appropriate target shaping. Experiments in the DIII-D tokamak and associated SOLPS-ITER modeling with full drifts find a strong interplay between drifts and divertor geometry on divertor dissipation. The coupling of divertor geometry and drift flows can strongly affect the path towards divertor detachment onset as the plasma density is raised. With the strike point on the inner slanted surface and ion B × ∇B away from the magnetic X-point, bifurcative transitions were observed with sharp decrease of T e towards detachment onset both experimentally and computationally. This differs from the situation for the open divertor where the T e cliff was only observed for ion B × ∇B towards the X-point. SOLPS-ITER modeling with full drifts demonstrates that the magnitude of the E × B drift flow is comparable with the main plasma flow. The reversal of both the poloidal and radial E × B flows near the strike point leads to rapid density accumulation right near the separatrix, which results in bifurcative step transition of divertor conditions with cold plasma across the entire divertor target plate. Furthermore, these results indicate that the interplay between geometry and drifts should be fully taken into account in future fusion reactor divertor designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1999

Ultrasound Thermal Field Imaging of Opaque Fluids

We have initiated an experimental program to develop an ultrasound system for non-intrusively imaging the thermal field in opaque fluids under an externally imposed temperature gradient. Many industrial processes involve opaque fluids, such as molten metals, semiconductors, and polymers, often in situations in which thermal gradients are important. For example, one may wish to understand semiconductor crystal growth dynamics in a Bridgman apparatus. Destructive testing of the crystal after the process is completed gives only indirect information about the fluid dynamics of the formation process. Knowledge of the coupled thermal and velocity fields during the growth process is then essential. Most techniques for non-intrusive velocity and temperature measurement in fluids are optical in nature, and hence the fluids studied must be transparent. In some cases (for example, LDV (laser Doppler velocimetry) and PIV (particle imaging velocimetry)) the velocities of small neutrally buoyant seed particles suspended in the fluid, are measured. Without particle seeding one can use the variation of the index of refraction of the fluid with temperature to visualize, through interferometric, Schlieren or shadowgraph techniques, the thermal field. The thermal field in turn gives a picture of the pattern existing in the fluid. If the object of study is opaque, non-optical techniques must be used. In this project we focus on the use of ultrasound, which propagates easily through opaque liquids and solids. To date ultrasound measurements have almost exclusively relied on the detection of sound scattered from density discontinuities inside the opaque material of interest. In most cases it has been used to visualize structural properties, but more recently the ultrasound Doppler velocimeter has become available. As in the optical case, it relies on seed particles that scatter Doppler shifted sound back to the detector. Doppler ultrasound techniques are, however, not useful for studying convective fluid flow in crystal growth, because particle seeding is unacceptable and flow velocities are typically too low to be resolved, and may be even lower in microgravity conditions where buoyancy forces are negligible. We will investigate a different use of ultrasound to probe the flows of opaque fluids non-intrusively and without the use of seed particles: our goal is to ultrasonically visualize the thermal field of opaque fluids with relatively high spatial resolution. The proposed technique relies upon the variation of sound speed with temperature of the fluid. A high frequency ultra-sound pulse passing through a fluid-filled chamber will traverse the chamber in a time determined by the relevant chamber dimension and the temperature of the fluid through which the pulse passes. With high time-resolution instrumentation that compares the excitation signal with the received pulse we can detect the influence of the fluid temperature on the pulse travel time. This is effectively an interferometric system, which in its optical form is an extremely sensitive approach to measuring thermal fields in fluids. Moreover, the temperature dependence of sound velocity in liquid metals is comparable to the temperature dependence of the speed of light required for accurate interferometric thermal images in transparent fluids. With an array of transducers scanned electronically a map of the thermal field over the chamber could be produced. An alternative approach would be to use the ultrasound analog of the shadowgraph technique. In the optical version, collimated light passes through the fluid, where it is focused or defocused locally by temperature field induced variations of the index of refraction. The resulting image reveals the thermal field through the spatial pattern of light intensity variations. By analogy, an ultrasound plane wave traversing an opaque fluid sample would be also locally focused or defocused depending on the speed of sound variations, giving rise to spatial variations in sound intensity that will reveal the thermal field pattern. These approaches could be applied to any situation in which temperature differences are expected to occur, and will rapidly provide information about the flow that simply cannot be obtained by any current intrusive or non-intrusive diagnostic technique. As materials processing in microgravity matures it will become increasingly important to have available simple and versatile diagnostic tools, such as we will develop, for studying the flows of opaque fluids under thermal forcing.

Andereck, C. David↗
DOE OSTI2023

Developing a Carbon Negative Biorefinery for Organic Waste Valorization

Production of bio-based chemicals have become increasingly attractive as efforts to meet carbon neutrality goals expand. Diverse organic waste feedstocks can be valorized via arrested anaerobic digestion and chain elongation to produce important key intermediates, such as medium chain carboxylic acids. Our work aims to develop a carbon negative biorefinery that funnels multiple organic waste feedstocks into a chemically consistent stream of carboxylic acids that are then upgraded to exemplary carbon negative products. The pairing of a hydrolysis reactor with a chain elongation reactor will allow each biological step to be optimized to improve the ability to valorize a variety of organic waste streams. Specifically, this work has so far been aimed at screening for potential chain elongating organisms to produce VFAs and MCCAs of interest. Four chain elongating organisms were tested for their chain elongation potential with diverse single and mixed substrates. So far, Megasphaera elsdenii and Actinobacillus succinogenes have been tested to determine potential differences in titer as well as product speciation due to variations in pH. To do this, each organism was tested under 3 different substrate combinations with pH maintained at either 5.5, 6, or 7. With better understanding of their metabolic needs and optimal operating conditions, these chain elongating organisms could provide a valuable option to facilitate the chain elongation necessary to produce precursor molecules. In addition to optimizing the bioconversion steps, downstream processing of carboxylic acids is also a key component for the overall feasibility of the process. Our group previously developed a downstream in-situ product recovery (ISPR) process for continuously recovering bio-based carboxylic acids from fermentation broth. The ISPR includes: (i) a solid-liquid separation as a cell retention device, (ii) a liquid-liquid extraction (LLE) to selectively extract the desired bio-based acids, and (iii) a distillation to obtain the neat product. The integrated process was demonstrated at bench-scale and is now scaled up for pilot-scale operations. A more cost-efficient membrane-based emulsion separation is introduced for LLE in downstream separation process with greatly promoted mass transfer, leading to -2800 times smaller needed membrane area than membrane contactors to achieve the same butyric acid extraction rate.

BIOMASS FUELS↗
NASA NTRS1989

Theoretical investigation of EM wave generation and radiation in the ULF, ELF, and VLF bands by the electrodynamic orbiting tether

The problem of electromagnetic wave generation by an electrodynamic tethered satellite system is important both for the ordinary operation of such systems and for their possible application as orbiting transmitters. The tether's ionospheric circuit closure problem is closely linked with the propagation of charge-carrying electromagnetic wave packets away from the tethered system. Work is reported which represents a step towards a solution to the problem that takes into account the effects of boundaries and of vertical variations in plasma density, collision frequencies, and ion species. The theory of Alfen wave packet generation by an electrodynamic tethered system in an infinite plasma medium is reviewed, and brief summary of previous work on the problem is given. The consequences of the presence of the boundaries and the vertical nonuniformity are then examined. One of the most significant new features to emerge when ion-neutral collisions are taken into account is the coupling of the Alfven waves to the fast magnetosonic wave. This latter wave is important, as it may be confined by vertical variations in the Alfven speed to a sort of leaky ionospheric wave guide, the resonances of which could be of great importance to the signal received on the Earth's surface. The infinite medium solution for this case where the (uniform) geomagnetic field makes an arbitrary angle with the vertical is taken as the incident wave-packet. Even without a full solution, a number of conclusions can be drawn, the most important of which may be that the electromagnetic field associated with the operation of a steady-current tethered system will probably be too weak to detect on the Earth's surface, even for large tethered currents. This is due to the total reflection of the incident wave at the atmospheric boundary and the inability of a steady-current tethered system to excite the ionospheric wave-guide. An outline of the approach to the numerical problem is given. The use of numerical integrations and boundary conditions consistent with a conducting Earth is proposed to obtain the solution for the horizontal electromagnetic field components at the boundary of the ionosphere with the atmospheric cavity.

Estes, Robert D.↗
DOE OSTI2021

Formation and evolution of protostellar accretion discs – I. Angular-momentum budget, gravitational self-regulation, and numerical convergence

Here, we investigate the formation and early evolution of a protostellar disc from a magnetized prestellar core using non-ideal magnetohydrodynamic (MHD) simulations including ambipolar diffusion and Ohmic dissipation. The dynamical contraction of the prestellar core ultimately leads to the formation of a first hydrostatic core, after ambipolar diffusion decouples the magnetic field from the predominantly neutral gas. The hydrostatic core accumulates angular momentum from the infalling material, evolving into a rotationally supported torus; this ‘first hydrostatic torus’ then forms an accreting protostar and a rotationally supported disc. The disc spreads out by gravitational instability, reaching ~30 au in diameter at ~3 kyr after protostar formation. The total mass and angular momentum of the protostar–disc system are determined mainly by accretion of gas from an infalling pseudo-disc, which has low specific angular momentum because of magnetic braking; their removal from the protostar–disc system by outflow and disc magnetic braking are negligible, in part because the magnetic field is poorly coupled there. The redistribution of angular momentum within the protostar–disc system is facilitated mainly by gravitational instability; this allows formation of relatively large discs even when the specific angular momentum of infalling material is low. We argue that such discs should remain marginally unstable as they grow (with Toomre Q ~ 1–2), an idea that is broadly consistent with recent observational estimates for Class 0/I discs. We discuss the numerical convergence of our results, and show that properly treating the inner boundary condition is crucial for achieving convergence at an acceptable computational cost.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Fluidized-Bed Gasification of Coal-Biomass-Plastics for Hydrogen Production

Coal is one of the most abundant fossil energy resources in the United States and in the world. The recoverable reserves in the United States are estimated to be about 252 billion tons – more than 350 years of supply at current rates of usage. However, the share of coal in total primary energy consumption in the US has been declining over the years. The decline of coal is mainly attributed to cheap natural gas and precipitous declines in the cost of electricity production from renewable technologies such as wind and solar. Coal can potentially be used if it is coupled with carbon-neutral feedstock such as biomass-agricultural residues, forest biomass, and forest residues. Co-gasification of coal and biomass can become a negative carbon emission technology if the carbon dioxide (CO 2 ) is captured and sequestered. Although the biomass gasification process has a lot of similarities to coal gasification, the large-scale adaptation of power production sourced from biomass has not come to fruition. The main reason is that the power production from biomass is still expensive when compared with natural gas or coal power technologies. To address the feedstock cost, one approach is to use low-cost feedstocks, such as municipal solid wastes (MSW) or plastics, for gasification. Gasification involves the partial oxidation of coal and/or biomass feedstocks to produce a combustible fuel called synthesis gas (syngas) which is composed of carbon monoxide (CO), hydrogen (H 2 ), CO 2 , methane (CH 4 ), nitrogen (N 2 ), water (H 2 O), and other compounds that might be considered as contaminants. Raw syngas from gasification must go through multiple steps to produce high-purity hydrogen. The specific steps depend upon the quality (gas composition, contaminants, and their concentration) and condition (pressure and temperature) of syngas. The long-term goal of the project was to utilize coal and plastics together with biomass to produce energy and fuels using a gasification platform while reducing greenhouse gas emissions. The main objective of this research was to examine gasification performance in a laboratory-scale fluidized-bed gasifier for hydrogen production. The specific objectives of the research were to: (i) study coal-plastic-biomass mixture flowability for consistent feeding in the gasifier; (ii) understand the gasification behavior of the mixture in steam and oxygen environments; (iii) perform thermal property characterization of ash and slag from the mixture feedstock and refractory-ash interface of the mixture under gasification conditions; and (iv) develop process models to determine the technology needed for syngas cleanup and contaminants. The study found that there was no apparent segregation when biomass, coal, and waste plastics were mixed together during feeding. Although there were differences in hydrogen production when individual feedstock were fed, the hydrogen concentration remained almost constant with various blends. Therefore, blending waste plastics with biomass and coal, which are all abundant, is a better approach for energy production. Results of the techno-economic analysis suggested that integration of advanced gasification (GTI’s R-GAS™) and syngas cleanup and conditioning technologies (RTI’s WDP and AFWGS) for clean hydrogen production resulted in substantial benefits, including significant capital cost and operating cost reductions. Advanced technologies resulted in 16% reduction in the hydrogen production cost (COH) from 2.94 $\$$/kg to 2.47 $\$$/g, with further scope for optimization and cost reduction. These advanced technologies also result in lower emissions, and improved energy efficiency.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1994

Gravitational instabilities in a proto-planetary disk including the effects of magnetic fields

We investigate the gravitational instability of a thin, Keplerian protoplanetary disk including the effects of a largely azimuthal magnetic field. The model follows that of our previous work (Noh, Vishniac, & Cochran 1991) except for the inclusion of a magnetic field. The disk is assumed to consist of neutral and ionized gas and neutral dust which are coupled by gravity and friction. The growth rates and eigenfunctions are calculated numerically using nonaxisymmetric linear perturbation methods. The results show that the growth rate has a maximum at some intermediate azimuthal number m, but for each value of m it is reduced relative to the unmagnetized case. The effects of the magnetic field appear more strongly on small scales. As the strength of the equilibrium magnetic field increases the growth rates decrease, and the maximum instability occurs at a lower value on m due to the increasing magnetic pressure. The response of each component to the magnetic field is discussed using the behavior of the eigenfunctions in the radial direction. With the inclusion of the magnetic field, the effects of the ionization fraction and friction on the growth rates also appear to be important for high m modes. Increasing the ionization fraction or the friction suppresses instability, but only slightly changes the maximally unstable azimuthal scales. The enhanced growth rates due to a dust component for which thermal pressure is negligible are somewhat reduced by the inclusion of a magnetic field. The effects of different boundary conditions (reflecting and transmitting) on the growth rates are also shown.

Noh, Hyerim↗
DOE OSTI2023

Influence of ion-pairing reagents on the separation of intact glycoproteins using hydrophilic-interaction liquid chromatography - high-resolution mass spectrometry

Hydrophilic-interaction liquid chromatography (HILIC) of intact proteins offers high-resolution separations of glycoforms of glycoproteins differing in the number of (neutral) glycans. However, to obtain efficient separations it is essential that the positively charged sites of the proteins are shielded by acidic (negative) ion-pair reagents (IPRs), so as to enhance the contribution of the hydroxyl groups of the (neutral) sugars in the glycoprotein. Here, we studied the influence of various IPRs that differ in physico-chemical properties, such as hydrophobicity and acidity, on the capillary-scale HILIC separation of intact (glyco)proteins. We evaluated the use of fluoroacetic acid (MFA), difluoroacetic acid (DFA), trifluoroacetic acid (TFA), and heptafluorobutyric acid (HFBA) as diluents for sample preparation, as solvents for sample loading on a reversed-phase trap prior to the HILIC separation, and as mobile-phase components for HILIC and HILIC-MS. To reduce the contribution of ion-exchange interaction with the (silica-based) stationary phase, we used an acrylamide-based monolithic column. We studied the influence of the different IPRs on each step of the separation of a mixture of proteins of different size and hydrophilicity and on the separation of the five glycoforms of ribonuclease B. The content of IPR in the sample was shown not to affect the separation and the MS detection. However, a low content of TFA and DFA in the mobile phase is favourable, as it reduces adduct formation and leads to higher signal intensity. The optimized HILIC conditions successfully resolved nine major glycoforms groups of a ~40 kDa glycoprotein horseradish peroxidase (HRP), as an example of a complex glycoprotein.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Development of a High Reliability Compact Air Independent PEMFC Power System

Autonomous Underwater Vehicles (AUV's) have received increasing attention in recent years as military and commercial users look for means to maintain a mobile and persistent presence in the undersea world. Compact, neutrally buoyant power systems are needed for both small and large vehicles. Historically, batteries have been employed in these applications, but the energy density and therefore mission duration are limited with current battery technologies. Vehicles with stored energy requirements greater than approximately 10 kWh have an alternate means to get long duration power. High efficiency Proton Exchange Membrane (PEM) fuel cell systems utilizing pure hydrogen and oxygen reactants show the potential for an order of magnitude energy density improvement over batteries as long as the subsystems are compact. One key aspect to achieving a compact and energy dense system is the design of the fuel cell balance of plant (BOP). Recent fuel cell work, initially focused on NASA applications requiring high reliability, has developed systems that can meet target power and energy densities. Passive flow through systems using ejector driven reactant (EDR) circulation have been developed to provide high reactant flow and water management within the stack, with minimal parasitic losses compared to blowers. The ejectors and recirculation loops, along with valves and other BOP instrumentation, have been incorporated within the stack end plate. In addition, components for water management and reactant conditioning have been incorporated within the stack to further minimize the BOP. These BOP systems are thermally and functionally integrated into the stack hardware and fit into the small volumes required for AUV and future NASA applications to maximize the volume available for reactants. These integrated systems provide a compact solution for the fuel cell BOP and maximize the efficiency and reliability of the system. Designs have been developed for multiple applications ranging from less than 1 kWe to 70 kWe. These systems occupy a very small portion of the overall energy system, allowing most of the system volume to be used for reactants. The fuel cell systems have been optimized to use reactants efficiently with high stack efficiency and low parasitic losses. The resulting compact, highly efficient fuel cell system provides exceptional reactant utilization and energy density. Key design variables and supporting test data are presented. Future development activities are described.

Vasquez, Arturo↗
DOE OSTI2026

Validation of Hermes-3 turbulence simulations against the TCV-X21 diverted L-mode reference case

Electrostatic flux-driven turbulence simulations with the Hermes-3 code are performed in TCV L-mode conditions in forward and reversed toroidal field configurations, and compared to the TCV-X21 reference dataset (Oliveira et al 2022 Nucl. Fusion 62 096001) qualitatively and with a quantitative methodology. Using only the magnetic equilibrium, total power across the separatrix (120 kW) and total particle flux to the targets (3 x 10 21 s −1 ) as inputs, the simulations produce time-averaged plasma profiles in good agreement with experiment. Shifts in the target peak location when the toroidal field direction is reversed are reproduced in simulation, including the experimentally observed splitting of the outer strike point into two density peaks. The overall normalized discrepancy between simulation and observation is better than any previously reported in the reversed field configuration, and matches the best previously reported in forward field configuration. Differences between simulation and experiment include density profiles inside the separatrix and at the inner target in forward (favorable $\bigtriangledown B$) field configuration. These differences in target temperature in forward field configuration lead to differences in the balance of current to the inner and outer divertor in the private flux region. The cause of these differences is most likely the lack of neutral gas in these simulations, indicating that even in low recycling regimes neutral gas plays an important role in determining edge plasma profiles. These conclusions are consistent with findings in Oliveira et al (2022 https://github.com/SPCData/TCV-X21).

Physics - Plasma physics↗
DOE OSTI2024

Numerical Analysis of Water Harvesting from Saturated Vapor with the Electrospray Water Droplet Injection in The Solar-Driven Desalination Applications

Solar-driven seawater desalination systems provide freshwater through environmentally friendly and carbon-neutral processes. Air humidification and dehumidification desalination (HDD) systems extract water directly from moist air. This paper focuses on a new solar-driven seawater desalination system that shares some common traits with HDD systems but in which the air is eliminated from the process. Seawater is vaporized by solar thermal radiation in high-performance solar panels. Water vapor flows to a new electro-condensation chamber and passes through a series of electrosprays, which inject small nuclei of freshwater droplets into the vapor clouds. Here, due to dielectrophoresis and electrohydrodynamic flows, the vapor molecules are captured by the charged droplets, and vapor is condensed at the droplet surface. The water vapor condensation was modeled by using the multiphase flow numerical model. The CFD model, which was also experimentally validated, used SprayFoam solver modules available in the Open FOAM® CFD open-source software. In preliminary results, 802 grams/(hr-m2) (grams per hour per unit area) of water was harvested directly from moist air at 24C and 90% relative humidity. The simulation results indicated that freshwater productivity could increase up to 4,000 grams/(hr-m2) for fully saturated air conditions. This represents about 5 times the water productivity rate of current conventional HDD systems today. In addition, energy consumption could be reduced by 80 percent compared to conventional HDD systems.

Electrospray, electro-condensation, solar, droplet↗