Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “deep potential”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Natural deep eutectic solvents for lignocellulosic biomass pretreatment: Recent developments, challenges and novel opportunities

Conversion of lignocellulosic biomass to fuels and chemicals has attracted immense research and development around the world. Lowering recalcitrance of biomass in a cost-effective manner is a challenge to commercialize biomass-based technologies. Deep eutectic solvents (DESs) are new ‘green' solvents that have a high potential for biomass processing because of their low cost, low toxicity, biodegradability, easy recycling and reuse. This article discusses the properties of DESs and recent advances in their application for lignocellulosic biomass processing. The effectiveness of DESs in hydrolyzing lignin-carbohydrate complexes, removing lignin/hemicellulose from biomass as well as their effect on biomass deconstruction, crystallinity and enzymatic digestibility have been discussed. Moreover, this review presents recent findings on the compatibility of natural DESs with enzymes and microorganisms.

09 BIOMASS FUELS↗
DOE OSTI2026

Performance and transport in the ARC tokamak

The ARC TM tokamak, a high-field (𝐵 𝑇 = 11.4 T) fusion power plant, under development by Commonwealth Fusion Systems, is studied using a suite of integrated modelling tools to predict its fusion power generation (𝑃𝑓⁡𝑢⁢𝑠), transport and confinement properties. Analysis is based off an ARC operational point scoped first with zero-dimensional (0-D) plasma operational contour (POPCON) modelling to produce 1.13 GW of fusion power. A suite of integrated modelling tools (TRANSP, ASTRA and TORAX) were applied to predict the performance and kinetic profiles of the ARC design point, yielding a range of predicted performance spanning from ∼900 to 1300 MW in rough quantitative agreement with POPCON predictions. The sensitivity of these results to uncertain modelling inputs was probed using scans of pedestal boundary conditions around EPED-predicted values (total pressure and temperature ratios), tungsten concentration and seperatrix density around their nominal assumptions. Pedestal pressure and pedestal top (𝑇 𝑖 /𝑇 𝑒 ) play a large role in 1.5-dimensional performance predictions, able to modify the predicted 𝑃 𝑓⁡𝑢⁢𝑠 by a factor of 2 within reasonable assumptions. High-fidelity core nonlinear gyrokinetic profile predictions, performed using CGYRO (Candy et al. 2016 J. Comput. Phys., vol. 324, pp. 73–93) coupled with the PORTALS (Rodriguez-Fernandez et al. 2024 Nucl. Fusion, vol. 64, 076034; Phys. Plasmas, vol. 31, 2024, 062501) framework, yield substantially lower performance (𝑃 𝑓⁡𝑢⁢𝑠 =677 MW) compared with 0-D and medium-fidelity modelling for nominal assumptions, showing that there is non-negligible uncertainty between models and that future work on SPARC may help resolve discrepancies. Lower overall performance results from significantly reduced volume-averaged densities and temperatures, along with reduced levels of density and temperature peaking. Turbulence and transport are largely dominated by ion temperature gradient across the profile, confirmed by both linear stability and the response of the nonlinear fluxes to changes in gradients, with some impact of kinetic ballooning modes in the deep core. This work represents one of the most complete scoping of potential fusion power plant conditions performed to date. The extensive integrated modelling provides confidence in ARC performance approaching 1 GW, while nonlinear gyrokinetic modelling results in open questions into the physics of density and temperature peaking in fusion-power-plant-relevant operational space. A discussion of results and the role that the SPARC tokamak (Creely et al. 2020 J. Plasma Phys., vol. 86, 865860502) will play in informing ARC design, performance and operation is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Tuning the Solvation and Solubility Properties of Molecularly Heterogeneous Nonionic Deep Eutectic Solvents via Interface Organization

Common separation techniques, such as liquid− liquid extraction, are usually used for extractions and purifications due to their industrial scalability and affordability. However, these well-established practices are hindered by low selectivity and challenges in recovering solutes and solvents. Deep eutectic solvents (DES), a fairly new type of solvent, have the potential to overcome these issues. DESs are binary mixtures whose physical properties can be tuned by selecting the appropriate precursors to facilitate and/or enhance processes such as extraction. A promising DES for selective separations is formed when lauric acid (LA) is mixed with N-methylacetamide (NMA). This LA-NMA DES has a heterogeneous microscopic structure that can solvate compounds with completely different polarities. This study explores how forming an organized structure on the mesoscale affects the solubility of nonpolar solutes in nonionic DESs. To this end, the molecular and mesoscale structures and their effect on the solubility and solvation properties are evaluated for the LA-NMA DES and two new DESs with slight chemical variations in their precursors. It is observed that the organization of the nonpolar DES domains and, consequently, of their interfaces directly relates to the solubility of nonpolar compounds. Specifically, correctly selecting the DES precursors that form organized nonpolar domains leads to an organized interface in which the nonpolar solutes are solvated, thereby increasing the solubility. Additionally, enhanced dissolution power was observed in a completely different DES with mesoscale order in its molecular structure and composed of menthol and lauric acid. The latter result further validates the proposed tunability of the DES dissolution power through organized interfaces, extending it beyond a specific DES family and opening the possibility of new extraction-tailored designer solvents.

Extraction↗
DOE OSTI2016

Near-Unity Absorption in van der Waals Semiconductors for Ultrathin Optoelectronics

In this work we demonstrate near-unity, broadband absorbing optoelectronic devices using sub-15 nm thick transition metal dichalcogenides (TMDCs) of molybdenum and tungsten as van der Waals semiconductor active layers. Specifically, we report that near-unity light absorption is possible in extremely thin (<15 nm) van der Waals semiconductor structures by coupling to strongly damped optical modes of semiconductor/metal heterostructures. We further fabricate Schottky junction devices using these highly absorbing heterostructures and characterize their optoelectronic performance. Our work addresses one of the key criteria to enable TMDCs as potential candidates to achieve high optoelectronic efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Deep traps and photo-electric properties of p-Si/MgO/n-Zn{sub 1−x}Mg{sub x}O heterojunction

In the paper, the photoluminescence (PL) measurements, current–voltage–temperature (I-V-T) measurements, space charge techniques (C-V and deep level transient spectroscopy (DLTS)), and photocurrent spectral characteristics have been applied to investigate defects in p-Si/MgO/ n-Zn{sub 1−x}Mg{sub x}O heterojunction (HJ). The HJ structure was grown on p-type Si (111) substrate with resistivity equal to 0.1 Ω cm by the plasma-assisted molecular beam epitaxy technique. A radio-frequency cell was used for the generation of oxygen plasma. PL spectrum let us determine the Mg content ∼10%. Besides the excitonic Zn{sub 0.9}Mg{sub 0.1}O line, the PL spectrum also contains green and yellow emission bands indicating the presence of defect states in the investigated structures. I-V measurements reveal the rectifying properties of the HJ and the current thermally activated with a trap with the activation energy equal to 0.42 eV. DLTS studies yield the majority trap of the activation energy 0.42 eV, confirming the result obtained from the I-V measurements. It was found that the defects related to this trap have a point like behaviour. A spectral characteristic of the photocurrent shows that the p-Si/MgO/n-Zn{sub 1−x}Mg{sub x}O HJ may be applied as a photodiode operating within the wavelength range of 300 nm-1100 nm. The dark current transport and photocurrent spectrum were explained using the Anderson model of a HJ.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Coupled escape probability for an asymmetric spherical case: Modeling optically thick comets

We have adapted Coupled Escape Probability, a new exact method of solving radiative transfer problems, for use in asymmetrical spherical situations. Our model is intended specifically for use in modeling optically thick cometary comae, although not limited to such use. This method enables the accurate modeling of comets' spectra even in the potentially optically thick regions nearest the nucleus, such as those seen in Deep Impact observations of 9P/Tempel 1 and EPOXI observations of 103P/Hartley 2.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Interface pinning of immiscible gravity-exchange flows in porous media

Here, we study the gravity-exchange flow of two immiscible fluids in a porous medium and show that, in contrast with the miscible case, a portion of the initial interface remains pinned at all times. We elucidate, by means of micromodel experiments, the pore-level mechanism responsible for capillary pinning at the macroscale. We propose a sharp-interface gravity-current model that incorporates capillarity and quantitatively explains the experimental observations, including the x ~ t 1/2 spreading behavior at intermediate times and the fact that capillarity stops a finite-release current. In conclusion, our theory and experiments suggest that capillary pinning is potentially an important, yet unexplored, trapping mechanism during CO 2 sequestration in deep saline aquifers.

58 GEOSCIENCES↗
DOE OSTI2018

Metastable Bound States of the Two-Dimensional Bimagnetoexcitons in the Lowest Landau Levels Approximation

The possible existence of the bound states of the interacting two-dimensional (2D) magnetoexcitons in the lowest Landau levels (LLLs) approximation was investigated using the Landau gauge description. The magnetoexcitons taking part in the formation of the bound state with resultant wave vector k=0 have opposite in-plane wave vectors k and −k and look as two electric dipoles with the arms oriented in-plane perpendicularly to the corresponding wave vectors. The bound state of two antiparallel dipoles moving with equal probability in any direction of the plane with equal but antiparallel wave vectors is characterized by the variational wave function of the relative motion φ{sub n}(k) depending on the modulus |k|. The spins of two electrons and the effective spins of two holes forming the bound states were combined separately in the symmetric or in the antisymmetric forms (↑↓ +η ↓↑) with the same parameter η=±1 for electrons and holes. In the case of the variational wave function φ{sub 2}(k)=(8α{sup 3}){sup 1/2}k{sup 2}l{sub 0}{sup 2}exp [−αk{sup 2}l{sub 0}{sup 2}] the maximum density of the magnetoexcitons in the momentum space representation is concentrated on the in-plane ring with the radius k{sub r}=1/(√αl{sub 0}). The stable bound states of the bimagnetoexciton molecule do not exist for both spin orientations. Instead of them, a deep metastable bound state with the activation barrier comparable with the ionization potential I{sub l} of the magnetoexciton with k=0 was revealed in the case η=1 and α=0.5. In the case η=−1 and α=3.4 only a shallow metastable bound state can appear.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Understanding Redox Organic Behavior in Deep Eutectic Solvents: Considerations for Molecular Design

Electrolytes based on deep eutectic solvents (DESs) coupled with redox active organic molecules have shown potential as a versatile and energy dense electrochemical energy storage system. However, progress in these systems has been held back by a lack of understanding of the irregular behavior displayed when redox active organic molecules are transitioned from other solvent systems. In this work, the hydrogen bonding characteristics of a series of redox organic molecules were investigated through infrared spectroscopy and molecular modeling. New understanding of these interactions was then used to explain their electrochemical behavior in a DES electrolyte. A model was used to predict the behavior of new derivatives towards the design of an optimized redox organic-DES system. Hydrogen bonding between the redox molecules and the solvent was found to significantly shift the potential of a redox reaction more positive when a hydrogen bond forms at the redox active site. It was predicted that functionalizing a molecule with electron withdrawing groups to lower the electron density of the redox active functional group lowers the strength of the hydrogen bond and thus alleviates the undesirable potential shift. This hypothesis was demonstrated by the addition of nitro groups to fluorenones.

25 ENERGY STORAGE↗
DOE OSTI2013

The Mean Climate of the Community Atmosphere Model (CAM4) in Forced SST and Fully Coupled Experiments

The Community Atmosphere Model, version 4 (CAM4), was released as part of the Community Climate System Model, version 4 (CCSM4). The finite volume (FV) dynamical core is now the default because of its superior transport and conservation properties. Deep convection parameterization changes include a dilute plume calculation of convective available potential energy (CAPE) and the introduction of convective momentum transport (CMT). An additional cloud fraction calculation is now performed following macrophysical state updates to provide improved thermodynamic consistency. A freeze-drying modification is further made to the cloud fraction calculation in very dry environments (e.g., the Arctic), where cloud fraction and cloud water values were often inconsistent in CAM3. In CAM4 the FV dynamical core further degrades the excessive trade-wind simulation, but reduces zonal stress errors at higher latitudes. Plume dilution alleviates much of the midtropospheric tropical dry biases and reduces the persistent monsoon precipitation biases over the Arabian Peninsula and the southern Indian Ocean. CMT reduces much of the excessive trade-wind biases in eastern ocean basins. CAM4 shows a global reduction in cloud fraction compared to CAM3, primarily as a result of the freeze-drying and improved cloud fraction equilibrium modifications. Regional climate feature improvements include the propagation of stationary waves from the Pacific into midlatitudes and the seasonal frequency of Northern Hemisphere blocking events. A 1° versus 2° horizontal resolution of the FV dynamical core exhibits superior improvements in regional climate features of precipitation and surface stress. Finally, improvements in the fully coupled mean climate between CAM3 and CAM4 are also more substantial than in forced sea surface temperature (SST) simulations.

cloud fraction calculation↗
DOE OSTI2015

Simulation of Powder Layer Deposition in Additive Manufacturing Processes Using the Discrete Element Method

This document serves as a final report to a small effort where several improvements were added to a LLNL code GEODYN-­L to develop Discrete Element Method (DEM) algorithms coupled to Lagrangian Finite Element (FE) solvers to investigate powder-­bed formation problems for additive manufacturing. The results from these simulations will be assessed for inclusion as the initial conditions for Direct Metal Laser Sintering (DMLS) simulations performed with ALE3D. The algorithms were written and performed on parallel computing platforms at LLNL. The total funding level was 3-­4 weeks of an FTE split amongst two staff scientists and one post-­doc. The DEM simulations emulated, as much as was feasible, the physical process of depositing a new layer of powder over a bed of existing powder. The DEM simulations utilized truncated size distributions spanning realistic size ranges with a size distribution profile consistent with realistic sample set. A minimum simulation sample size on the order of 40-­particles square by 10-­particles deep was utilized in these scoping studies in order to evaluate the potential effects of size segregation variation with distance displaced in front of a screed blade. A reasonable method for evaluating the problem was developed and validated. Several simulations were performed to show the viability of the approach. Future investigations will focus on running various simulations investigating powder particle sizing and screen geometries.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Deep Vadose Zone Treatability Test of Soil Desiccation for the Hanford Central Plateau: Final Report

Some of the inorganic and radionuclide contaminants in the deep vadose zone at the Hanford Site are at depths where direct exposure pathways are not of concern, but may need to be remediated to protect groundwater. The Department of Energy developed a treatability test program for technologies to address Tc-99 and uranium in the deep vadose zone. These contaminants are mobile in the subsurface environment, have been detected at high concentrations deep in the vadose zone, and at some locations have reached groundwater. The treatability test of desiccation described herein was conducted as an element of the deep vadose zone treatability test program. Desiccation was shown to be a potentially effective vadose zone remediation technology to protect groundwater when used in conjunction with a surface infiltration barrier.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Unsaturated alluvium disposal modelling with improved geological realism

This report describes specific activities in the Fiscal Year (FY) 2023 associated with the Geologic Disposal Safety Assessment (GDSA) Repository Systems Analysis (RSA) work package funded by the Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy Office of Nuclear Energy (DOE-NE), Office of Spent Fuel and Waste Disposition (SFWD). The overall objective of the GDSA RSA work package is to develop generic deep geologic repository concepts and system performance assessment (PA) models in several potential host-rock environments, and to simulate and analyze these generic repository concepts and models using the GDSA Framework toolkit and other tools as needed. The specific GDSA goal addressed in this report is reference case development, simulation, and analysis for the unsaturated alluvium (UZ), one of the four potential host-rocks considered by the GDSA. Further, we aim to exercise the simulation tools and methodologies under development by GDSA for PA modelling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Defining Infrastructure Feasibility for Hub-Scale Offshore Atlantic Carbon Storage in the Northeastern United States

In the Northeast U.S., deep rock formations along the Atlantic outer continental shelf may have the potential to sequester 150–1136 million metric tons of CO2. However, the design and infrastructure necessary to develop offshore carbon storage in this region is not well defined because there has been little oil and gas exploration and no commercial production. Consequently, an infrastructure feasibility design was completed for a hub-scale offshore CO2 storage system along the Northeast U.S. Atlantic. The design included development of a detailed, site-specific geological model for a location near the Great Stone Dome geological structure in the Baltimore Canyon Trough off the coast of Delaware, Maryland, and New Jersey. A field injection system topology design was completed to portray a design with eight wells in two clusters connected by central manifolds. Reservoir simulations were completed for the injection system that showed the hub may be able to inject 17 million metric tons (MMT) of CO2 per year for thirty years, but injection rates varied substantially across the eight wells. A CO2 pipeline design determined feasible routes from the east coast shoreline to the injection field. Finally, the CO2 injection system design included subsea injection trees, manifolds, and power umbilicals. This is the first study to define large-scale carbon storage design and infrastructure options for the offshore Atlantic, which can help to progress this region towards field characterization and early-mover deployment for future decarbonization in the region.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Probing the Wind Component of Radio Emission in Luminous High-redshift Quasars

We discuss a probe of the contribution of wind-related shocks to the radio emission in otherwise radio-quiet quasars. Given (1) the nonlinear correlation between UV and X-ray luminosity in quasars, (2) that such a correlation leads to higher likelihood of radiation-line-driven winds in more luminous quasars, and (3) that luminous quasars are more abundant at high redshift, deep radio observations of high-redshift quasars are needed to probe potential contributions from accretion disk winds. We target a sample of 50 z ≃ 1.65 color-selected quasars that span the range of expected accretion disk wind properties as traced by broad C iv emission. 3 GHz observations with the Very Large Array to an rms of ≈10 μJy beam -1 probe to star formation rates of ~400 M ⊙ yr -1 , leading to 22 detections. Supplementing these pointed observations are survey data of 388 sources from the LOFAR Two-meter Sky Survey Data Release 1 that reach comparable depth (for a typical radio spectral index), where 123 sources are detected. These combined observations reveal a radio detection fraction that is a nonlinear function of C iv emission-line properties and suggest that the data may require multiple origins of radio emission in radio-quiet quasars. We find evidence for radio emission from weak jets or coronae in radio-quiet quasars with low Eddington ratios, with either (or both) star formation and accretion disk winds playing an important role in optically luminous quasars and correlated with increasing Eddington ratio. Additional pointed radio observations are needed to fully establish the nature of radio emission in radio-quiet quasars.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1988

Storage and computationally efficient permutations of factorized covariance and square-root information arrays

A unified method to permute vector stored Upper triangular Diagonal factorized covariance and vector stored upper triangular Square Root Information arrays is presented. The method involves cyclic permutation of the rows and columns of the arrays and retriangularization with fast (slow) Givens rotations (reflections). Minimal computation is performed, and a one dimensional scratch array is required. To make the method efficient for large arrays on a virtual memory machine, computations are arranged so as to avoid expensive paging faults. This method is potentially important for processing large volumes of radio metric data in the Deep Space Network.

Muellerschoen, R. J.↗
NASA NTRS2000

Technology Assessment of Doe's 55-we Stirling Technology Demonstrator Convector (TDC)

The Department of Energy (DOE), Germantown, Maryland and the NASA Glenn Research Center (GRC), Cleveland, Ohio are developing a Stirling Convertor for an advanced radioisotope power system as a potential power source for spacecraft on-board electric power for NASA deep space science missions. The Stirling Convertor is being evaluated as an alternative high efficiency power source to replace Radioisotope Thermoelectric Generators (RTGs). Stirling Technology Company (STC), Kennewick, Washington, is developing the highly efficient, long life 55-We free-piston Stirling Convertor known as the Technology Demonstrator Convertor (TDC) under contract to DOE. GRC provides Stirling technology expertise under a Space Act Agreement with the DOE. Lockheed Martin Astronautics (LMA), Valley Forge, Pennsylvania is the current power system integrator for the Advanced Radioisotope Power System (ARPS) Project for the DOE. JPL is responsible for the Outer Planets/Solar Probe Project for NASA.

Furlong, Richard↗
NASA NTRS2002

Impact Testing of a Stirling Converter's Linear Alternator

The U.S. Department of Energy (DOE), in conjunction with the NASA John H. Glenn Research Center and Stirling Technology Company, are currently developing a Stirling convertor for a Stirling Radioisotope Generator (SRG). NASA Headquarters and DOE have identified the SRG for potential use as an advanced spacecraft power system for future NASA deep-space and Mars surface missions. Low-level dynamic impact tests were conducted at NASA Glenn Research Center's Structural Dynamics Laboratory as part of the development of this technology. The purpose of this test was to identify dynamic structural characteristics of the Stirling Technology Demonstration Convertor (TDC). This paper addresses the test setup, procedure, and results of the impact testing conducted on the Stirling TDC in May 2001.

Suarez, Vicente J.↗