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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mitigating CaCO 3 crystal nucleation and growth through continuous ion displacement via alternating electric fields

Mineral crystal formation poses a challenge on surfaces (e.g., heat exchangers, pipes, membranes, etc.) in contact with super-saturated fluids. Applying alternating currents (AC) to such surfaces can prevent surface crystallization under certain conditions. Here, we demonstrate that ion displacement induced by periodic charging and discharging of the electrical double layer (EDL) inhibits both heterogeneous and homogeneous nucleation (and crystal growth) of CaCO 3 . Titanium sheets (meant to simulate metallic heat exchanger surfaces) are immersed in super-saturated CaCO 3 solutions with a saturation index >11. We show that at relatively high AC frequencies, incomplete EDL formation leads to an alternating electric field that propagates far into the bulk solution, inducing rapid ion migration that overwhelms the Brownian motion of ions. Electrochemical characterization reveals EDL charging/discharging under AC conditions that greatly inhibits precipitation. Operating at 4 V pp , 0.1–10 Hz reduces turbidity by over 96% and reduces CaCO 3 coverage on the metal plates by over 92%. Based on electrokinetic and crystallization models, the ion displacement velocity (exceeding the mean Brownian velocity) and displacement length disrupts ion collision and crystal nucleation. Overall, the technique has potential for preventing mineral crystal formation in heat exchangers and many other industrially relevant systems.

42 ENGINEERING↗
DOE OSTI2019

Physical gelation of AB-alternating copolymers made of vinyl phenol and maleimide units: cooperation between precisely incorporated phenol and long alkyl pendant groups

In this work, a series of alternating copolymers consisting of vinyl phenol and n-alkyl maleimide was synthesized via radical copolymerization of a protected styrene derivative with a functional maleimide monomer followed by deprotection. Copolymers carrying long alkyl pendants such as C 12 H 25– or C 18 H 37– chains on the maleimide unit showed a UCST-type thermal response in aromatic solvents, and organogels were specifically formed upon cooling of the fluid solution prepared at higher temperatures. Hydrogen bonding of the phenol units is crucial for gelation, and the gelation temperature and stiffness were tunable by varying the concentration, solvent and polymerization degree. Analyses by 1 H-NMR, linear rheology, WAXD, SANS and cryo-TEM gave the picture of vermicular self-assembled nano-objects formed through segregated and hydrogen-bonded packing by the precisely incorporated two units in an alternating sequence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Ethanol to diesel: a sustainable alternative for the heavy-duty transportation sector

The combustion of middle distillates (diesel and jet fuel) is responsible for the emission of more than 2 GTon of CO 2 per year worldwide. While sustainable alternatives exist for gasoline and jet fuel, we still lack sustainable alternatives for diesel. This fact is especially relevant if we consider that electrification of sectors where diesel is used is challenging. One sustainable approach for diesel production is the catalytic upgrading of ethanol. While most work in this field has focused on the dehydration/oligomerization of ethanol, this approach is limited to producing fuels that have a high degree of branching and low cetane number. Another approach is the sequential use of ethanol Guerbet coupling, leading to higher alcohols, followed by etherification, leading to large ethers which, importantly, result in a product with high cetane number. In this work, we explore the catalytic upgrading of ethanol into diesel following an approach based on the initial Guerbet coupling of ethanol followed by etherification. The results presented are a collaborative and synergic effort among process and systems engineers, experimentalist in the area of catalysis, and fuel property modelers. Here, we demonstrate experimentally the feasibility of upgrading ethanol into a diesel fuel with properties that surpass its fossil counterpart. The diesel produced has a predicted cetane number of ~70 and outstanding cold flow properties, while maintaining other properties (viscosity, density, and flash point) within expected ranges. A technoeconomic analysis performed based on a detailed biorefinery model shows that the MFSP is ~5.89$ per Gal in 2021 dollars when lignocellulosic ethanol is used, with the most relevant economic driver the cost of the ethanol feedstock. The upgrading process can be performed with a net energy gain (EROI = 1.49 > 1). An LCA analysis of greenhouse gas (GHG) emissions reveals that the use of lignocellulosic ethanol may lead to more than 50% reduction in GHG emissions compared to fossil diesel. Depending on the CO 2 emissions associated with the production of ethanol we show that in some instances the production of carbon neutral diesel fuel is possible.

09 BIOMASS FUELS↗
DOE OSTI2026

Accelerating ion transport by dynamic asymmetry of alternating polymer electrolytes

Polymer based electrolytes allow the absence of volatile components in batteries thus increasing their safety. Yet, they exhibit drawbacks based on their low conductivity. We have used an alternating polymer consisting of dimethyl siloxane (DMS) and ethylene glycol (EG) blocks to circumvent known disadvantages of the usually used polyethylene glycol (PEG). Incorporating dimethyl siloxane lowers the glass-transition temperature and thus reduces the segmental relaxation time, by dynamic asymmetry or internal plasticization of the constituting polymer blocks. The alternating structure ensures miscibility of the different components and hinders crystallization. Furthermore, the pure polymer, P(DMS 3 -alt-EG 4 ), shows a segmental relaxation time well in the range needed for polymer electrolytes. Mixtures of LiClO 4 and P(DMS 3 -alt-EG 4 ) show a drastically reduced temperature dependence of their DC conductivity in comparison to PEG based systems, resulting in an increase by two orders of magnitude at T = 5 °C and even three to four orders of magnitude at T = 0 °C. Addition of coordinating (acetonitrile) or non-coordinating (toluene) solvent increases conductivity either via additional plasticization or by weakening the Li-binding yet looking at the dynamics at low concentrations of additional solvent the mobility of the polymer is reduced. In conclusion, the solvent addition leads only at higher solvent concentration to a reduction in relaxation time.

Jakobi, Bruno [Louisiana State Univ., Baton Rouge,↗
DOE OSTI2014

Photoluminescence study of the substitution of Cd by Zn during the growth by atomic layer epitaxy of alternate CdSe and ZnSe monolayers

We present a study of the substitution of Cd atoms by Zn atoms during the growth of alternate ZnSe and CdSe compound monolayers (ML) by atomic layer epitaxy (ALE) as a function of substrate temperature. Samples contained two quantum wells (QWs), each one made of alternate CdSe and ZnSe monolayers with total thickness of 12 ML but different growth parameters. The QWs were studied by low temperature photoluminescence (PL) spectroscopy. We show that the Cd content of underlying CdSe layers is affected by the exposure of the quantum well film to the Zn flux during the growth of ZnSe monolayers. The amount of Cd of the quantum well film decreases with higher exposures to the Zn flux. A brief discussion about the difficulties to grow the Zn{sub 0.5}Cd{sub 0.5}Se ordered alloy (CuAu-I type) by ALE is presented.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Alternative process for thin layer etching: Application to nitride spacer etching stopping on silicon germanium

Silicon nitride spacer etching realization is considered today as one of the most challenging of the etch process for the new devices realization. For this step, the atomic etch precision to stop on silicon or silicon germanium with a perfect anisotropy (no foot formation) is required. The situation is that none of the current plasma technologies can meet all these requirements. To overcome these issues and meet the highly complex requirements imposed by device fabrication processes, we recently proposed an alternative etching process to the current plasma etch chemistries. This process is based on thin film modification by light ions implantation followed by a selective removal of the modified layer with respect to the non-modified material. In this Letter, we demonstrate the benefit of this alternative etch method in term of film damage control (silicon germanium recess obtained is less than 6 A), anisotropy (no foot formation), and its compatibility with other integration steps like epitaxial. The etch mechanisms of this approach are also addressed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Alternating InGaN barriers with GaN barriers for enhancing optical performance in InGaN light-emitting diodes

InGaN-based light-emitting diodes (LEDs) with some specific designs on the quantum barrier layers by alternating InGaN barriers with GaN barriers are proposed and studied numerically. In the proposed structure, simulation results show that the carriers are widely dispersed in the multi-quantum well active region, and the radiative recombination rate is efficiently improved and the electron leakage is suppressed accordingly, due to the appropriate band engineering. The internal quantum efficiency and light-output power are thus markedly enhanced and the efficiency droop is smaller, compared to the original structures with GaN barriers or InGaN barriers. Moreover, the gradually decrease of indium composition in the alternating quantum barriers can further promote the LED performance because of the more uniform carrier distribution, which provides us a simple but highly effective approach for high-performance LED applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Alternative algebraic approaches in quantum chemistry

Various algebraic approaches of quantum chemistry all follow a common principle: the fundamental properties and interrelations providing the most essential features of a quantum chemical representation of a molecule or a chemical process, such as a reaction, can always be described by algebraic methods. Whereas such algebraic methods often provide precise, even numerical answers, nevertheless their main role is to give a framework that can be elaborated and converted into computational methods by involving alternative mathematical techniques, subject to the constraints and directions provided by algebra. In general, algebra describes sets of interrelations, often phrased in terms of algebraic operations, without much concern with the actual entities exhibiting these interrelations. However, in many instances, the very realizations of two, seemingly unrelated algebraic structures by actual quantum chemical entities or properties play additional roles, and unexpected connections between different algebraic structures are often giving new insight. Here we shall be concerned with two alternative algebraic structures: the fundamental group of reaction mechanisms, based on the energy-dependent topology of potential energy surfaces, and the interrelations among point symmetry groups for various distorted nuclear arrangements of molecules. These two, distinct algebraic structures provide interesting interrelations, which can be exploited in actual studies of molecular conformational and reaction processes. Two relevant theorems will be discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Scaling behavior of spin gap of the bond alternating anisotropic spin-1/2 Heisenberg chain

Scaling behavior of spin gap of a bond alternating spin-1/2 anisotropic Heisenberg chain has been studied both in ferromagnetic (FM) and antiferromagnetic (AFM) cases. Spin gap has been estimated by using exact diagonalization technique. All those quantities have been obtained for a region of anisotropic parameter Δ defined by 0≤Δ≤1. Spin gap is found to develop as soon as the non-uniformity in the alternating bond strength is introduced in the AFM regime which furthermore sustains in the FM regime as well. Scaling behavior of the spin gap has been studied by introducing scaling exponent. The variation of scaling exponents with Δ is fitted with a regular function.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Liquid metal alloy ion sources—An alternative for focussed ion beam technology

Today, Focused Ion Beam (FIB) processing is nearly exclusively based on gallium Liquid Metal Ion Sources (LMIS). But, many applications in the μm- or nm range could benefit from ion species other than gallium: local ion implantation, ion beam mixing, ion beam synthesis, or Focused Ion Beam Lithography (IBL). Therefore, Liquid Metal Alloy Ion Sources (LMAIS) represent a promising alternative to expand the remarkable application fields for FIB. Especially, the IBL process shows potential advantages over, e.g., electron beam or other lithography techniques: direct, resistless, and three-dimensional patterning, enabling a simultaneous in-situ process control by cross-sectioning and inspection. Taking additionally into account that the used ion species influences significantly the physical and chemical nature of the resulting nanostructures—in particular, the electrical, optical, magnetic, and mechanic properties leading to a large potential application area which can be tuned by choosing a well suited LMAIS. Nearly half of the elements of the periodic table are recently available in the FIB technology as a result of continuous research in this area during the last forty years. Key features of a LMAIS are long life-time, high brightness, and stable ion current. Recent developments could make these sources feasible for nano patterning issues as an alternative technology more in research than in industry. The authors will review existing LMAIS, LMIS other than Ga, and binary and ternary alloys. These physical properties as well as the fabrication technology and prospective domains for modern FIB applications will similarly be reviewed. Other emerging ion sources will be also presented and their performances discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Instability of surface electron cyclotron TM-modes influenced by non-monochromatic alternating electric field

The influence of non-monochromaticity of an external alternating electric field on excitation of TM eigenmodes at harmonics of the electron cyclotron frequency is considered here. These TM-modes propagate along the plasma interface in a metal waveguide. An external static constant magnetic field is oriented perpendicularly to the plasma interface. The problem is solved theoretically using the kinetic Vlasov-Boltzmann equation for description of plasma particles motion and the Maxwell equations for description of the electromagnetic mode fields. The external alternating electric field is supposed to be a superposition of two waves, whose amplitudes are different and their frequencies correlate as 2:1. An infinite set of equations for electric field harmonics of these modes is derived with the aid of nonlinear boundary conditions. This set is solved using the wave packet approach consisting of the main harmonic frequency and two nearest satellite temporal harmonics. Analytical studies of the obtained set of equations allow one to find two different regimes of parametric instability, namely, enhancement and suppression of the instability. Numerical analysis of the instability is carried out for the three first electron cyclotron harmonics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Review of hydro-instability experiments with alternate capsule supports in indirect-drive implosions on the National Ignition Facility

Hydrodynamic instability growth of capsule support membranes (or “tents”) has been recognized as one of the major contributors to the performance degradation in high-compression plastic capsule implosions at the National Ignition Facility (NIF). The capsules were supported by tents because the nominal 10-μm diameter fill tubes were not strong enough to support capsules by themselves in indirect-drive implosions on NIF. After it was recognized that the tents had a significant impact of implosion's stability, new alternative support methods were investigated. While some of these methods completely eliminated tent, other concepts still used tents, but concentrated on mitigating their impact. The tent-less methods included “fishing pole” reinforced fill tubes, cantilevered fill tubes, and thin-wire “tetra cage” supports. In the “fishing pole” concept, a 10-μm fill tube was inserted inside 30-μm fill tube for extra support with the connection point located 300 μm away from the capsule surface. The cantilevered fill tubes were supported by 12-μm thick SiC rods, offset by up to 300 μm from the capsule surfaces. In the “tetra-cage” concept, 2.5-μm thick wires (carbon nanotube yarns) were used to support a capsule. Other concepts used “polar tents” and a “foam-shell” to mitigate the effects of the tents. The “polar tents” had significantly reduced contact area between the tents and the capsule compared to the nominal tents. In the “foam-shell” concept, a 200-μm thick, 30 mg/cc SiO 2 foam layer was used to offset the tents away from the capsule surface in an attempt to mitigate their effects. These concepts were investigated in x-ray radiography experiments and compared with perturbations from standard tent support. The measured perturbations in the “fishing pole,” cantilevered fill tube, and “tetra-cage” concepts compared favorably with (were smaller than) nominal tent perturbations and were recommended for further testing for feasibility in layered DT implosions. The “polar tents” were tested in layered DT implosions with a relatively-stable “high-foot” drive showing an improvement in neutron yield in one experiment compared to companion implosions with nominal tents. Furthermore, this article reviews and summarizes recent experiments on these alternate capsule support concepts. In addition, the concept of magnetic levitation is also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Possibility of reducing nonlinear distortions of a frequency response of a gas ring laser with a periodic alternating frequency bias

We report a theoretical study of the dependence of the beat frequency of counterpropagating waves on the rotation velocity in a gas ring laser with a periodic alternating frequency bias. Rectangular biases of two types are considered: with constant amplitude and with periodic amplitude modulation. We have found dynamic zones for locking-in the counterpropagating wave frequencies and determined deviations of the frequency response from the ideal one that arise when measuring frequency nonreciprocities, close in magnitude to the amplitude of an alternating frequency bias. It is shown that in the case of a rectangular bias with periodic amplitude modulation, nonlinear distortions of the frequency response can be reduced by an order of magnitude. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Life cycle air quality impacts of conventional and alternative light-duty transportation in the United States

Significance Our assessment of the life cycle air quality impacts on human health of 10 alternatives to conventional gasoline vehicles finds that electric vehicles (EVs) powered by electricity from natural gas or wind, water, or solar power are best for improving air quality, whereas vehicles powered by corn ethanol and EVs powered by coal are the worst. This work advances the current debate over the environmental impacts of conventional versus alternative transportation options by combining detailed spatially and temporally explicit emissions inventories with state-of-the-science air quality impact analysis using advanced chemical transport modeling. Our results reinforce previous findings that air quality-related health damages from transportation are generally comparable to or larger than climate change-related damages.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Machine learning enables identification of an alternative yeast galactose utilization pathway

How genomic differences contribute to phenotypic differences is a major question in biology. The recently characterized genomes, isolation environments, and qualitative patterns of growth on 122 sources and conditions of 1,154 strains from 1,049 fungal species (nearly all known) in the yeast subphylum Saccharomycotina provide a powerful, yet complex, dataset for addressing this question. We used a random forest algorithm trained on these genomic, metabolic, and environmental data to predict growth on several carbon sources with high accuracy. Known structural genes involved in assimilation of these sources and presence/absence patterns of growth in other sources were important features contributing to prediction accuracy. By further examining growth on galactose, we found that it can be predicted with high accuracy from either genomic (92.2%) or growth data (82.6%) but not from isolation environment data (65.6%). Prediction accuracy was even higher (93.3%) when we combined genomic and growth data. After the GALactose utilization genes, the most important feature for predicting growth on galactose was growth on galactitol, raising the hypothesis that several species in two orders, Serinales and Pichiales (containing the emerging pathogen Candida auris and the genus Ogataea, respectively), have an alternative galactose utilization pathway because they lack the GAL genes. Growth and biochemical assays confirmed that several of these species utilize galactose through an alternative oxidoreductive D-galactose pathway, rather than the canonical GAL pathway. Machine learning approaches are powerful for investigating the evolution of the yeast genotype–phenotype map, and their application will uncover novel biology, even in well-studied traits.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid

As the SARS-CoV-2 virus continues to spread and mutate, it remains important to focus not only on preventing spread through vaccination but also on treating infection with direct-acting antivirals (DAA). The approval of Paxlovid, a SARS-CoV-2 main protease (M pro ) DAA, has been significant for treatment of patients. A limitation of this DAA, however, is that the antiviral component, nirmatrelvir, is rapidly metabolized and requires inclusion of a CYP450 3A4 metabolic inhibitor, ritonavir, to boost levels of the active drug. Serious drug–drug interactions can occur with Paxlovid for patients who are also taking other medications metabolized by CYP4503A4, particularly transplant or otherwise immunocompromised patients who are most at risk for SARS-CoV-2 infection and the development of severe symptoms. Developing an alternative antiviral with improved pharmacological properties is critical for treatment of these patients. By using a computational and structure-guided approach, we were able to optimize a 100 to 250 μM screening hit to a potent nanomolar inhibitor and lead compound, Mpro61. In this study, we further evaluate Mpro61 as a lead compound, starting with examination of its mode of binding to SARS-CoV-2 M pro . In vitro pharmacological profiling established a lack of off-target effects, particularly CYP450 3A4 inhibition, as well as potential for synergy with the currently approved alternate antiviral, molnupiravir. Development and subsequent testing of a capsule formulation for oral dosing of Mpro61 in B6-K18-hACE2 mice demonstrated favorable pharmacological properties, efficacy, and synergy with molnupiravir, and complete recovery from subsequent challenge by SARS-CoV-2, establishing Mpro61 as a promising potential preclinical candidate.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Modulation of structure and dynamics of water under alternating electric field and the role of hydrogen bonding

Using Molecular Dynamics simulations, we investigate the effect of alternating (AC) electric field on static and dynamic properties of water. Here, the central question we address is how hydrogen bonds respond to perpetual field-induced dipole reorientations. We assess structural perturbations of water network and changes of hydrogen bond dynamics in a range of alternating electric field strengths and frequencies using a non-polarizable water model, SPC/E, and two distinct polarizable models: SWM4-NDP and BK3. We confirm that AC field causes only moderate structural perturbations. Dynamic properties, including the rates of bond breaking, switching of hydrogen-bonding partners, and diffusion, accelerate with the strength of AC fields. All models reveal a nonmonotonic frequency dependence with fastest dynamics at frequencies around 200 GHz where the period of the field oscillation is commensurate with the average time it takes a typical proton to switch from one acceptor to another. Higher frequencies result in smaller amplitudes of angle oscillations and in reduced probability to complete the switch to another acceptor before the field reversal restores the original configuration. As frequency increases, these effects gradually weaken the influence of the field on the kinetics of hydrogen bonding and the associated rates of translational and rotational diffusion in water.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Analysis of Design Alternatives of Actively Cooled RF Window for MPEX

The Materials Plasma Exposure eXperiment (MPEX) has been designed as a linear plasma divertor simulator in order to address plasma material interaction (PMI) science for next-generation fusion devices. It will have the capability to test neutron irradiated samples with plasma fluxes of greater than 10 24 m -2 s -1 . It is expected to operate steady state for up to 10 6 s to consider PMI affects through reactor end of life. The conceptual design of MPEX was completed in 2019, with preliminary design having begun in 2020. The plasma source for MPEX is a helicon antenna, where the energized helical antenna sits outside of the vacuum in order to minimize impurities in the plasma. It is expected to receive up to 200 kW of continuous power, and so the antenna and the window must be actively cooled. The water-cooled copper antenna has been operated at full power on the Proto-MPEX device (which is a test facility to demonstrate the plasma source and heating systems). The water-cooled window, however, is a novel component that must meet numerous competing requirements. It requires a low dielectric loss to allow the Radio Frequency (RF) power to create the plasma within the vacuum boundary. It must be structurally robust to handle the significant heat flux from the plasma and any heat from dielectric coupling. It must be compatible with the coolant (preferably water). It requires a vacuum seal that minimizes impurities into the plasma and does not compromise the structural integrity of the window. Two window designs have been tested. Results from these tests, where temperatures are measured and heat fluxes inferred from infrared camera data, have been correlated with thermal-structural simulations. When these simulations are extrapolated to the full power steady-state heat fluxes that are expected in MPEX, the designs do not appear to have the necessary structural robustness. This study explores design alternatives for the MPEX helicon antenna window, presents analysis results for several of the alternatives, and shows a viable solution that satisfies the requirements for MPEX operation.

Tipton Jr, Joseph↗