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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Stepped pressure equilibrium with relaxed flow and applications in reversed-field pinch plasmas

The multi-region relaxed magnetohydrodynamics (MRxMHD) has been successful in the construction of equilibria in three-dimensional (3D) configurations. In MRxMHD, the plasma is sliced into sub-volumes separated by ideal interfaces, each undergoing relaxation, allowing the formation of islands and chaos. The resulting equilibrium has a stepped pressure profile across sub-volumes. The stepped pressure equilibrium code (SPEC) was developed to calculate MRxMHD equilibria numerically. In this work, we have extended the SPEC code to compute MRxMHD equilibria with field-aligned flow and rotation, following the theoretical development to incorporate cross-helicity and angular momentum constraints. The code has been verified for convergence and compared to a Grad–Shafranov solver in 2D. We apply our new tool to study the flow profile change before and after the sawtooth crash of a reversed-field pinch discharge, in which data of the parallel flow is available. We find the promising result that under the constraints of cross-helicity and angular momentum, the parallel flow profile in post-crash SPEC equilibrium is flat in the plasma core and the amplitude of the flow matches experimental observations. Lastly, we provide an example equilibrium with a 3D helical field structure as the favored lower energy state. This will be the first 3D numerical equilibrium in which the flow effects are self-consistently calculated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

On the non-existence of stepped-pressure equilibria far from symmetry

The Stepped Pressure Equilibrium Code (SPEC) (Hudson et al 2012 Phys. Plasmas 19 112502) has been successful in the construction of equilibria in 3D configurations that contain a mixture of flux surfaces, islands and chaotic magnetic field lines. In this model, the plasma is sliced into sub-volumes separated by ideal interfaces, and in each volume the magnetic field is a Beltrami field. In the cases where the system is far from possessing a continuous symmetry, such as in stellarators, the existence of solutions to a stepped-pressure equilibrium with given constraints, such as a multi-region relaxed MHD minimum energy state, is not guaranteed but is often taken for granted. Using SPEC, we have studied two different scenarios in which a solution fails to exist in a slab with analytic boundary perturbations. Here we found that with a large boundary perturbation, a certain interface becomes fractal, corresponding to the break up of a Kolmogorov–Arnold–Moser (KAM) surface. Moreover, an interface can only support a maximum pressure jump while a solution of the magnetic field consistent with the force balance condition can be found. An interface closer to break-up can support a smaller pressure jump. We discovered that the pressure jump can push the interface closer to being non-smooth through force balance, thus significantly decreasing the maximum pressure it can support. Our work shows that a convergence study must be performed on a SPEC equilibrium with interfaces close to break-up. These results may also provide insights into the choice of interfaces and have applications in finding out the maximum pressure a machine can support.

3D equilibrium↗
DOE OSTI2021

Success of digital adiabatic simulation with large Trotter step

The simulation of adiabatic evolution has deep connections with adiabatic quantum computation, the quantum approximate optimization algorithm, and adiabatic state preparation. Here we address the error analysis problem in quantum simulation of adiabatic process using Trotter formulas. Here we show that with additional conditions, the circuit depth can be linear in simulation time T. The improvement comes from the observation that the fidelity error here can't be estimated by the norm distance between evolution operators. This phenomenon is termed the robustness of discretization in digital adiabatic simulation. It can be explained in three steps, from analytical and numerical evidence: (1) The fidelity error should be estimated by applying adiabatic theorem on the effective Hamiltonian instead. (2) Because of the specialty of Riemann-Lebesgue lemma, most adiabatic process is naturally robust against discretization. (3) As the Trotter step gets larger, the spectral gap of effective Hamiltonian tends to close, which results in the failure of digital adiabatic simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Two-step charge density wave transition and hidden transient phase in 1 T – TiSe 2

Using variable temperature atomic pair distribution function analysis, we study the emergence of charge density wave (CDW) order in 1T-TiSe 2 and find that it takes place via a two-step transition. First, upon decreasing temperature to about 235(3) K, CDW related lattice distortions emerge in the individual TiSe 2 layers alone. Then, upon further decreasing the temperature, the two-dimensional distortions in the layers couple and the widely recognized three-dimensional 2a o x 2a o x 2c o superstructure emerges at about 205(3) K. Because two different band gaps are known to emerge at the same temperatures, the finding indicates the presence of strong electron-phonon coupling. The transient phase between the two steps lacks inversion symmetry and may serve as a precursor of the debated chiral 1T-TiSe 2 phase. Finally, our findings are important for the understanding of the enigmatic CDW transition in 1T-TiSe 2 and CDW instabilities in van der Waals materials in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Cooperative mechanisms behind nanoscale smoothing on metal surfaces: From adatom diffusion to step nucleation

Many technologies require stable or metastable surface morphology. Here, in this paper we study the factors that control the metastability of a common feature of rough surfaces: “hillocks.” We use low energy electron microscopy to follow the evolution of the individual atomic steps in hillocks on Pd(111). We show that the uppermost island in the stack often adopts a static, metastable configuration. Modeling this result shows that the degree of the metastability depends on the configuration of steps dozens of atomic layers lower. Our model allows us to link surface metastability to the atomic processes of surface evolution.

Fernandes Cauduro, Andre Luis↗
DOE OSTI2024

Adaptive time stepping for the two-time integro-differential Kadanoff-Baym equations

The nonequilibrium Green's function gives access to one-body observables for quantum systems. Of particular interest are quantities such as density, currents, and absorption spectra which are important for interpreting experimental results in quantum transport and spectroscopy. We present an integration scheme for the Green's function's equations of motion, the Kadanoff-Baym equations (KBE), which is both adaptive in the time integrator step size and method order as well as the history integration order. We analyze the importance of solving the KBE self-consistently and show that adapting the order of history integral evaluation is important for obtaining accurate results. To examine the efficiency of our method, we compare runtimes to a state-of-the-art fixed time step integrator for several test systems and show an order of magnitude speedup at similar levels of accuracy. Published by the American Physical Society 2024

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Primary $\gamma$-ray intensities and $\gamma$-strength functions from discrete two-step $\gamma$-ray cascades in radiative proton-capture experiments

Background: Reaction rates of radiative capture reactions can play a crucial role in the nucleosynthesis of heavy nuclei in explosive stellar environments. These reaction rates depend strongly on $\gamma$-ray decay widths in the reaction products, which are, for nonresonant capture reactions at high excitation energies, derived from the $\gamma$-ray strength function and the nuclear level density. Recently, the ratio method was applied to primary $\gamma$ rays observed from ($\textit{d, p}$) reactions and nuclear resonance fluorescence measurements to extract the dipole strength in atomic nuclei and to test the generalized Brink-Axel hypothesis. Purpose: The purpose of this work is to apply the ratio method to primary $\gamma$-ray intensities of the 63,65 Cu($\textit{p},\gamma$) reactions to extract $\gamma$-ray strength information on the nuclei 64,66 Zn. Here, the impact of spin distribution, total $\gamma$-ray decay widths, level densities, and width fluctuations on the application of the ratio method will be discussed. Additionally, by comparing the relative $\gamma$-ray strength at different excitation energies, conclusions on the validity of the generalized Brink-Axel hypothesis can be made. Method: The radiative proton capture reaction measurements have been performed at the HORUS $\gamma$-ray spectrometer of the University of Cologne at one excitation energy for each reaction. Primary $\gamma$-ray intensities have been determined by normalizing secondary $\gamma$-ray transitions in two-step cascades using their absolute branching ratio. The ratio method was applied to the measured primary $\gamma$-ray intensities as well as to previous measurements by Erlandsson et al. at different excitation energies. Results: The relative strength function curve for 64 Zn from our measurement shows no significant deviation from the previous measurement at a different excitation energy. The same is true for 66 Zn where both measurements were at almost the same excitation energy. Absolute $\gamma$-strength function values have been obtained by normalizing the relative curves to quasiparticle random phase approximation calculations because of the absence of experimental data in the respective energy region. Conclusion: The generalized Brink-Axel hypothesis, i.e., the independence of the strength function on the excitation energy, seems to hold in the studied energy region and nuclei. The method to obtain primary $\gamma$-ray intensities from two-step cascade spectra was shown to be a valuable and sensitive tool although its uncertainties are connected to the knowledge of the low-energy level scheme of the investigated nucleus. The scaling in the ratio method should be taken with care, because the relative strength is not a simple sum of $f_{E1}$ and $f_{M1}$ but a somewhat complex linear combination dependent on the excitation energy of the nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A Step in Understanding the Hubble Tension

As cosmological data have improved, tensions have arisen. One such tension is the difference between the locally measured Hubble constant H 0 and the value inferred from the cosmic microwave background (CMB). Interacting radiation has been suggested as a solution, but studies show that conventional models are precluded by high-ℓ CMB polarization data. It seems at least plausible that a solution may be provided by related models that distinguish between high- and low-ℓ multipoles. When interactions of strongly-coupled radiation are mediated by a force-carrier that becomes non-relativistic, the dark radiation undergoes a "step" in which its relative energy density increases as the mediator deposits its entropy into the lighter species. If this transition occurs while CMB-observable modes are inside the horizon, high- and low-ℓ peaks are impacted differently, corresponding to modes that enter the horizon before or after the step. Here, these dynamics are naturally packaged into the simplest supersymmetric theory, the Wess-Zumino model, with the mass of the scalar mediator near the eV-scale. We investigate the cosmological signatures of such "Wess-Zumino Dark Radiation" (WZDR) and find that it provides an improved fit to the CMB alone, favoring larger values of H 0 . If supernovae measurements from the SH0ES collaboration are also included in the analysis, the inferred value of H 0 is yet larger, but the preference for dark radiation and the location of the transition is left nearly unchanged. Utilizing a standardized set of measures, we compare to other models and find that WZDR is among the most successful at addressing the H 0 tension and the best of those with a Lagrangian formulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Time-Varying Feedback Optimization for Quadratic Programs with Heterogeneous Gradient Step Sizes

Online feedback-based optimization has become a promising framework for real-time optimization and control of complex engineering systems. This tutorial paper surveys the recent advances in the field as well as provides novel convergence results for primal-dual online algorithms with heterogeneous step sizes for different elements of the gradient. The analysis is performed for quadratic programs and the approach is illustrated on applications for adaptive step-size and model-free online algorithms, in the context of optimal control of modern power systems.

gradient methods↗
DOE OSTI2025

Mitigation of Pitting on Nitrogen-Doped Niobium Surfaces through Two-Step Electropolishing

Surface processing of niobium superconducting RF cavities used in particle accelerators is crucial for determining their performance. The nitrogen (N)-doping method, developed at Fermilab, enhances the cavities’ quality factor by doping the cavity’s interior surface with N atoms at 800 °C. After N-doping, electropolishing (EP) is employed to remove the niobium nitride phases and attain the desired concentration of interstitial N atoms. This study explores the effects of EP conditions on N-doped niobium samples. The samples were electropolished at 5 to 40 °C and voltages between 3 and 22 V. Different EP voltage ranges produced two types of pits, classified based on their sizes. Larger pits, linked to higher voltages, are also affected by the reaction rate. Pitting could be reduced at a lower temperature and adequate EP voltage. However, to effectively minimize gas evolution forming large-sized pitting, peeling off the top nitride layer before EP might be beneficial. This was achieved through precise low-voltage etching, forming a two-step EP process. The process involves removing the top 100–200 nm layer at a low voltage, followed by standard EP to remove the required material. This two-step EP process effectively mitigated the pitting risk associated with gas evolution on N-doped surfaces.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

SCC (Step characteristics calculator) [SWR-21-80]

The SCC software calculates the step response characteristics based on the data collected from the plant. The tools available to characterize the step response needs a plant model. Our tool calculates the characteristics based on the data captured from the plant. This prevents the user from building a plant model and directly calculates the response.

Prabakar, Kumaraguru↗
DOE OSTI2023

Intron-mediated enhancement of DIACYLGLYCEROL ACYLTRANSFERASE1 expression in energycane promotes a step change for lipid accumulation in vegetative tissues

Abstract Background Metabolic engineering for hyperaccumulation of lipids in vegetative tissues is a novel strategy for enhancing energy density and biofuel production from biomass crops. Energycane is a prime feedstock for this approach due to its high biomass production and resilience under marginal conditions. DIACYLGLYCEROL ACYLTRANSFERASE ( DGAT ) catalyzes the last and only committed step in the biosynthesis of triacylglycerol (TAG) and can be a rate-limiting enzyme for the production of TAG. Results In this study, we explored the effect of intron-mediated enhancement (IME) on the expression of DGAT 1 and resulting accumulation of TAG and total fatty acid (TFA) in leaf and stem tissues of energycane. To maximize lipid accumulation these evaluations were carried out by co-expressing the lipogenic transcription factor WRINKLED 1 ( WRI 1) and the TAG protect factor oleosin ( OLE 1). Including an intron in the codon-optimized TmDGAT 1 elevated the accumulation of its transcript in leaves by seven times on average based on 5 transgenic lines for each construct. Plants with WRI 1 (W), DGAT 1 with intron (Di), and OLE 1 (O) expression (WDiO) accumulated TAG up to a 3.85% of leaf dry weight (DW), a 192-fold increase compared to non-modified energycane (WT) and a 3.8-fold increase compared to the highest accumulation under the intron-less gene combination (WDO). This corresponded to TFA accumulation of up to 8.4% of leaf dry weight, a 2.8-fold or 6.1-fold increase compared to WDO or WT, respectively. Co-expression of WDiO resulted in stem accumulations of TAG up to 1.14% of DW or TFA up to 2.08% of DW that exceeded WT by 57-fold or 12-fold and WDO more than twofold, respectively. Constitutive expression of these lipogenic “push pull and protect” factors correlated with biomass reduction. Conclusions Intron-mediated enhancement (IME) of the expression of DGAT resulted in a step change in lipid accumulation of energycane and confirmed that under our experimental conditions it is rate limiting for lipid accumulation. IME should be applied to other lipogenic factors and metabolic engineering strategies. The findings from this study may be valuable in developing a high biomass feedstock for commercial production of lipids and advanced biofuels. Graphical abstract

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Data for Intron-Mediated Enhancement of DIACYLGLYCEROL ACYLTRANSFERASE1 Expression in Energycane Promotes a Step Change for Lipid Accumulation in Vegetative Tissues

Metabolic engineering for hyperaccumulation of lipids in vegetative tissues is a novel strategy for enhancing energy density and biofuel production from biomass crops. Energycane is a prime feedstock for this approach due to its high biomass production and resilience under marginal conditions. DIACYLGLYCEROL ACYLTRANSFERASE ( DGAT ) catalyzes the last and only committed step in the biosynthesis of triacylglycerol (TAG) and can be a rate-limiting enzyme for the production of TAG. In this study, we explored the effect of intron-mediated enhancement (IME) on the expression of DGAT1 and resulting accumulation of TAG and total fatty acid (TFA) in leaf and stem tissues of energycane. To maximize lipid accumulation these evaluations were carried out by co-expressing the lipogenic transcription factor WRINKLED1 ( WRI1 ) and the TAG protect factor oleosin ( OLE1 ). Including an intron in the codon-optimized TmDGAT1 elevated the accumulation of its transcript in leaves by seven times on average based on 5 transgenic lines for each construct. Plants with WRI1 (W), DGAT1 with intron (Di), and OLE1 (O) expression (WDiO) accumulated TAG up to a 3.85% of leaf dry weight (DW), a 192-fold increase compared to non-modified energycane (WT) and a 3.8-fold increase compared to the highest accumulation under the intron-less gene combination (WDO). This corresponded to TFA accumulation of up to 8.4% of leaf dry weight, a 2.8-fold or 6.1-fold increase compared to WDO or WT, respectively. Co-expression of WDiO resulted in stem accumulations of TAG up to 1.14% of DW or TFA up to 2.08% of DW that exceeded WT by 57-fold or 12-fold and WDO more than twofold, respectively. Constitutive expression of these lipogenic “push pull and protect” factors correlated with biomass reduction. Intron-mediated enhancement (IME) of the expression of DGAT resulted in a step change in lipid accumulation of energycane and confirmed that under our experimental conditions it is rate limiting for lipid accumulation. IME should be applied to other lipogenic factors and metabolic engineering strategies. The findings from this study may be valuable in developing a high biomass feedstock for commercial production of lipids and advanced biofuels.

Feedstock Production↗
DOE OSTI2021

Accelerated Creep Testing of Inconel 718 Using the Stepped Isostress Method (SSM)

This paper demonstrates the stepped isostress method (SSM); an accelerated creep test (ACT) for the rapid assessment of metallic materials. The SSM test is based on the time-temperature-stress superposition principle (TTSSP) where temperature and/or stress are step increased to accelerate the time-to-rupture. The SSM test has proven successful for the ACT of polymers and polymeric composites but has yet to be proven for metallic materials. In this study, new test matrix design rules for the SSM of metals are established based on deformation mechanism, time-temperature transformation, and time-temperature precipitation maps. A test matrix of SSM and conventional creep tests (CCTs) are executed for alloy Inconel 718 at 750°C (1382°F) with stress levels ranging from 100 to 350 MPa. Validation CCT data is gathered from the Japan National Institute of Material Science (NIMS). Material constants for the Sine-hyperbolic (Sinh) constitutive model are calibrated using the SSM data and employed to predict the conventional creep response. Here, when blindly compared to the CCT data, the SSM calibrated Sinh model can accurately predict the conventional creep response across logarithmic decades and thus accelerate the capture of conventional creep data. Fractography indicates ductile fracture by transgranular microvoid coalescence (TMVC) with the same fracture mode observed in both SSM and CCT specimens. Creep cavitation is indicated by the population, smoothness, and size of microvoids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Two-Step Synthesis of Poly (urea formaldehyde) Microcapsules

Self-healing coatings have potential to reduce waste and minimize repair costs in industries where materials need to be protected from harsh environmental conditions and mechanical abrasion. These coatings can be created by embedding healing-agent filled microcapsules which release their contents and fill voids in the event of damage. To synthesize microcapsules that are ideal for self-healing coatings, they must have a diameter less than 100 microns, smooth surface morphology, and have improved dispersibility. Our current one-step method does not produce microcapsules within the desired size distribution, so a two-step route where oligomers of the shell wall material are formed prior to microcapsule formation was investigated. This was done by evaluating the effects of solution viscosity, size of reaction vessel, addition of poly (vinyl alcohol) (PVA), and core/shell ratio on microcapsule properties. Characterization of microcapsule size, morphology, and composition was done using optical microscopy, Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA). Microcapsules with an average diameter of 78 ± 16 microns were successfully synthesized. Further work must be done to minimize PUF crystallites on the surface of the microcapsules.

36 MATERIALS SCIENCE↗
DOE OSTI2023

LANL Institutional Computing Close-out Report for Project t22_ocean_time_step

This year, my team made a very productive use of LANL IC time. Four papers were published that used IC resources, and two more are under review. These publications fall into three categories: 1.) Improving tide modeling in the global ocean by adding self attraction and loading (Barton et. al. 2022), ice shelf cavities (Pal et al. 2023), and local time stepping (Lilly et al. 2023). 2.) A new sea ice numerical formulation (Capodaglio 2023). 3.) Performance comparisons, methods, and test cases for ocean model development, This includes a verification suite for ocean models (Bishnu, submitted) and a comparison between Julia and Fortran (Strauss, submitted). A new time-stepping method was introduced in Calandrini et al. (2022). These publications, and the use of LANL IC resources, go hand-in-hand with our mentoring efforts to train young scientists. Two of the lead authors are graduate students who are conducting their PhD research: Kristin Barton at the University of Michigan and Jeremy Lilly at Oregon State. These are both their first publications, and they both have DOE funding and DOE mentors. In addition, Bishnu is a post-doctoral researcher at LANL; Strauss conducted his research as a senior in high school; and Capodaglio, Calandrini and Pal are all early-career scientists who were converted to staff in 2021 or 2022. Here we highlight two publications on improvements in tidal modeling: Barton et al. 2022 and Lilly et al. 2023.

58 GEOSCIENCES↗
DOE OSTI2022

Solar Ammonia Production via Novel Two-step Thermochemical Looping of a Co 3 Mo 3 N/Co 6 Mo 6 N pair [Slides]

Ternary nitrides in the family A 3 B x N (A=Co, Ni, Fe; B=Mo; x=2,3) identified and synthesized. Experiments with Co 3 Mo 3 N in Ammonia Synthesis Reactor demonstrate cyclable NH3 production from bulk nitride under pure H 2 . Production rates were approx. constant in all the reduction steps with no evident dependence on the consumed solid-state nitrogen up to formation of 661. Material can be re-nitridized under pure N 2 (or 10% H 2 /N 2 ). Bulk N utilization per reduction step averaged between 25 – 40% of the total (2-3 hours). Rate equations and parameters extracted from data. NH 3 selectivity exceeds gas phase equilibrium at higher temperatures (in a large excess of H 2 ). Selectivity begins to decrease significantly above 650 C, N 2 production rapidly increases above 650 C seemingly due to reaction that is zero order in H 2 (thermal reduction of the nitride?). Poised to begin the systematics studies of relationships between materials and reactions.

14 SOLAR ENERGY↗
DOE OSTI2022

Environmentally Sound One-Step Solar Silicon From Natural Quartzite

This project aimed to demonstrate a new molten salt electrodeposition process to go straight from low-cost silica at $200/tonne ($40¢/kg Si basis) to polysilicon in a single step using less than 30 kWh/kg. This would eliminate the carbothermic reduction step and all direct greenhouse emissions, along with 90% of the energy. It would also eliminate the chemical hazards of chlorosilane handling which have resulted in multiple fatalities in the polysilicon industry – in Japan, the US and China. This project had the following major accomplishments: Stakeholder engagement indicated that the solar silicon market is very sensitive to price, provided quality is sufficient. The most important measure of silicon quality is not purity but carrier lifetime, as many impurities can reduce performance at concentrations too small to measure; Experiments set a baseline of current efficiency which is too low for commercial application (~3%), with electronic current ruled out as a mechanism for reduced current efficiency; A scale-up plant narrative narrative described a potential plant and formed the basis for the TEA components; TEA showed that current efficiency, large cell size, and zirconia membrane lifetime are key factors which determine capital and operating costs for the process.

14 SOLAR ENERGY↗