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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reversed-direction 2-point modelling applied to divertor conditions in DIII-D *

Abstract A predictive form of the extended 2-point model known as the ‘reverse 2-point model’, Rev2PM, is applied to a range of detachment levels in the open lower divertor of DIII-D, showing that the experimentally measured electron temperature ( T e ) and pressure ( p e ) at the divertor entrance can be calculated within 50% from target measurements, if and only if a posteriori corrections for convective heat flux are included in the model. Unlike the standard 2-point model, the Rev2PM calculates upstream scrape-off layer (SOL) quantities (such as separatrix T e and p e ) from target conditions (such as T e and parallel heat flux), with volumetric power and momentum losses depending solely on target T e . The Rev2PM is tested against a database of DIII-D inter-ELM divertor Thomson scattering measurements, built from a series of 6 MW, 1.3 MA, LSN H-mode discharges with varied main ion density, drift direction, and nitrogen puffing rate. Measured target T e ranged from 0.4–25 eV over this database, and upstream T e ranged from 5–60 eV. Poor agreement is found between upstream measurements and Rev2PM calculations that assume purely conductive parallel heat transport. However, introducing a posteriori corrections to account for convective heat transport brings the Rev2PM calculations within 50% of the measured upstream values across the dataset. These corrections imply that up to 99% of the parallel heat flux is carried by convection in detached conditions in the DIII-D open lower divertor, though further work is required to assess any potential dependencies on device size or divertor closure.

2-point model↗
DOE OSTI2025

Chemical Vapor Deposition-Grown Hexagonal Boron Nitride and Graphene for Tandem Dielectric Capacitive Polymer Devices

To address the low energy density of polymeric capacitors, this work explores how tandem combinations of antagonistic properties can enhance energy storage. We introduce multilayer architecture integrating chemical vapor deposition (CVD)-grown ≈2 nm hexagonal boron nitride (hBN) and graphene with ferroelectric polyvinylidene fluoride (PVDF) and linear polyetherimide (PEI) layers to suppress leakage paths, reduce loss, and promote Maxwell–Wagner–Sillars polarization. Raman spectroscopy, X-ray diffraction (XRD), atomic force microscopy (AFM), scanning electron microscopy (SEM), and plasma focused ion beam (PFIB) analyses confirm robust material integration. In conclusion, for the tandem device, E BD ≈600 V/μm, while individual layers show lower values (PVDF|Graphene (Gr)|PVDF ≈ 50 V/μm and PEI|hBN|PEI ≈ 275 V/μm), yielding an overall ≈6000% enhancement and demonstrating the effectiveness of the 2D multilayer design.

Chemical vapor deposition (CVD)↗
DOE OSTI2020

Anisotropic index of refraction and structural properties of hexagonal boron nitride epilayers probed by spectroscopic ellipsometry

The anisotropic index of refraction of 200 μm thick boron-10 enriched hexagonal boron nitride (h-BN) freestanding epilayers grown by metalorganic chemical vapor deposition has been measured using spectroscopic ellipsometry in the UV (4.0–5.1 eV) spectral range. It was found that the index of refraction for the polarization mode with an electric field perpendicular to the c-axis (ordinary, n o ) is much higher than that with an electric field parallel to the c-axis (extraordinary, n e ). By inclusion of turbostratic- (t-) phase layers within h-BN having an average inclination angle (θ) with respect to the ideal c-plane, a simple method for quantifying θ has been deduced. Our results revealed that the presence of t-phase layers decreases the optical anisotropy of h-BN and that a signature of improved crystalline quality is an increase in the ordinary index of refraction (n o ) as a result of the average incline angle θ approaching 0° and predicted that n o = 2.7 and n e = 1.5 at 280 nm for single crystalline h-BN epilayers. More importantly, our results demonstrated that spectroscopic ellipsometry is an effective technique for characterizing the crystalline quality of h-BN epilayers with the advantages of being noninvasive and highly sensitive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Network upgrade exploiting multi band: S- or E-band?

Nowadays, the fiber spectrum is only partially exploited, i.e., mainly in the C-band and more recently in the C + L-band, where the fiber attenuation profile experiences the minimum. Thus, fiber communications technology—amplifiers, switching, transceivers, etc.—and networking solutions are mature for those spectrum bands. However, the continuous increase in traffic means that capacity saturation of the current infrastructure is looming. Taking advantage of the unused portions of the spectrum (e.g., the S- and E-bands) may be an efficient solution to accommodate an increase in traffic without installing new fibers. Research is thus investigating multi-band transmission and networking to evaluate and enable such network upgrades. Some issues need to be solved or taken into account, from the enabling technology (e.g., amplifiers in the S- or E-band are still under development) to physical layer effects previously neglected, such as stimulated Raman scattering (SRS). SRS affects wideband transmission, potentially degrading active channels. The contribution of this paper is the investigation of network upgrades for C + L-band systems. In particular, upgrades exploiting the E- and S-bands are compared taking into account each band capacity and the effects of SRS on both new and already deployed channels (in both the C- and L-bands). A detailed analysis of the physical layer is provided also in the presence of guard bands between previously exploited bands and the bands used for upgrade. By leveraging the physical layer assessment, a networking analysis is carried out to evaluate the supported traffic increase and also the signal quality degradation due to SRS on active channels. Overall, the results suggest that upgrades to the E- and S-bands support a comparable increase in traffic. However, the exploitation of the E-band with 14 THz of guard band between the C- and E-bands may avoid detrimental effects to already active channels in the C + L-band, suggesting this upgrade strategy can be the most effective of the two.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Reply to Comment on ‘Deuterium supersaturated surface layer in tungsten: ion energy dependence’

Abstract We reply to the comment by Li et al (submitted to Nucl. Fusion with this response) on our recent paper Nishijima et al (2023 Nucl. Fusion 63 126003). In this response, we address the existence of an incident ion energy, E i , threshold for the deuterium (D) supersaturated surface layer (DSSL) formation with a newly conducted D plasma exposure experiment at E i ∼ 20 eV. It is also further demonstrated, based on new experiments where the ion flux, fluence, and sample temperature are scanned, that non-kinetic (ballistic) processes play a role in the DSSL formation and growth. In addition, the effect of impurities in our plasma is discussed also with a new analysis of the surface composition made after a D plasma exposure.

Nishijima, D. (ORCID:0000000231194827)↗
DOE OSTI2025

Enabling room-temperature ferromagnetism in few-layered MoS 2 films via strain engineering

Strain engineering presents a promising pathway for modulating the physical properties of two-dimensional (2D) transition metal dichalcogenides materials. Here, in this study, we investigate the strain-induced magnetic behavior of diamagnetic MoS 2 films prepared by the DC magnetron sputtering technique. By applying +1% tensile strain to few-layered MoS 2 films (∼3.5 nm), we observe the emergence of room-temperature ferromagnetism with a magnetization saturation of about ∼130 emu/cm 3 , in stark contrast to bulk films (∼40 nm), which remain diamagnetic under similar conditions. Raman spectroscopy reveals a pronounced reduction in the intensity and the splitting of the E′ mode in 1% strained few-layered films, indicating a possible bond elongation and symmetry breaking under tensile stress. Additionally, x-ray absorption spectroscopy at the Mo M 3 edge further confirms a strain-induced electronic structure modification in few-layered films, with no corresponding shift observed in bulk counterparts. Moreover, the strain-induced magnetic and structural changes are largely reversible upon strain release. We attribute the origin of ferromagnetism in few-layered films to the combined influence of tensile strain and defect-assisted bond weakening, which facilitates crystal field transitions within the Mo 4d orbitals. These findings demonstrate that strain engineering can effectively induce and modulate magnetism in 2D materials, providing opportunities for developing strain-controlled spintronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Method and apparatus for real time, in situ sensing and characterization of roughness, geometrical shapes, geometrical structures, composition, defects, and temperature in three-dimensional manufacturing systems

Methods and apparatuses for manufacturing are disclosed, including (a) providing an apparatus having: a laser; scanner; powder injection system; powder spreading system; dichroic filter; imager-and-processor; and computer; (b) programming the computer with specifications of a sample; (c) using the computer to set initial parameters based on the sample specifications; (d) adjusting a stage to position the sample; (e) focusing and scanning electromagnetic radiation onto the sample while powder is concurrently injected onto the sample in order to deposit a layer; (f) capturing two-dimensional images of the sample and probing the sample to determine whether the deposited layer was manufactured per the specifications; (g) use the computer to adjust the three-dimensional manufacturing parameters based on the determination made in step (f) prior to additively manufacturing a subsequent layer or making repairs; and (h) repeating steps (d), (e), (f), and (g) until the manufacture is complete. Other embodiments are described and claimed.

Liu, Jian↗
DOE OSTI2026

Light-tight Skipper-CCDs for X-Ray Detection in Space

Skipper Charge-Coupled Devices (skipper-CCDs) are pixelated silicon detectors with deep sub-electron resolution. Their radiation hardness and capability to reconstruct energy deposits with unprecedented precision make them a promising technology for space-based X-ray astronomy. In this scenario, optical and near-infrared photons may saturate the sensor, distorting the reconstructed signal. We present a light-tight shield for skipper-CCDs to suppress optical backgrounds while preserving X-ray detection efficiency. We deposited thin aluminum layers on the CCD surface using an e-beam evaporator and evaluated their blinding performance across wavelengths from 650 to 1000 nm using a monochromator, as well as the X-ray transmission using an 55 Fe source. We find that 50 and 100 nm layers provide >99.6% light suppression, with no efficiency loss for 5.9 and 6.4 keV X-rays. In addition, we used Geant4 simulations to extend these results to a broader energy range and quantify the efficiency loss for different aluminum thicknesses. Results show that thin aluminum coatings are an effective, low-cost solution for optical suppression in skipper-CCDs intended for X-ray detection and space instrumentation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Structure-Based Design of Dual Bactericidal and Bacteria-Releasing Nanosurfaces

Here, we report synergistic nanostructured surfaces combining bactericidal and bacteria-releasing properties. A polystyrene-block-poly(methyl methacrylate) (PS-block-PMMA) diblock copolymer is used to fabricate vertically oriented cylindrical PS structures (“PS nanopillars”) on silicon substrates. The results demonstrate that the PS nanopillars (with a height of about 10 nm, size of about 50 nm, and spacing of about 70 nm) exhibit highly effective bactericidal and bacteria-releasing properties (“dual properties”) against Escherichia coli for at least 36 h of immersion in an E. coli solution. Interestingly, the PS nanopillars coated with a thin layer (≈3 nm thick) of titanium oxide (TiO 2 ) (“TiO 2 nanopillars”) show much improved dual properties against E. coli (a Gram-negative bacterium) compared to the PS nanopillars. Moreover, the dual properties emerge against Listeria monocytogenes (a Gram-positive bacterium). To understand the mechanisms underlying the multifaceted property of the nanopillars, coarse-grained molecular dynamics (MD) simulations of a lipid bilayer (as a simplified model for E. coli) in contact with a substrate containing hexagonally packed hydrophilic nanopillars were performed. The MD results demonstrate that when the bacterium–substrate interaction is strong, the lipid heads adsorb onto the nanopillar surfaces, conforming the shape of a lipid bilayer to the structure/curvature of nanopillars and generating high stress concentrations within the membrane (i.e., the driving force for rupture) at the edge of the nanopillars. Membrane rupture begins with the formation of pores between nanopillars (i.e., bactericidal activity) and ultimately leads to the membrane withdrawal from the nanopillar surface (i.e., bacteria-releasing activity). In the case of Gram-positive bacteria, the adhesion area to the pillar surface is limited due to the inherent stiffness of the bacteria, creating higher stress concentrations within a bacterial cell wall. In conclusion, the present study provides insight into the mechanism underlying the “adhesion-mediated” multifaceted property of nanosurfaces, which is crucial for the development of next-generation antibacterial surface coatings for relevant medical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simulation study of particle transport by weakly coherent mode in the Alcator C-Mod tokamak

A simulation study has been conducted of the physical mechanisms behind the weakly coherent mode (WCM) and its produced particle transport in the I-mode edge plasmas by using the BOUT++ code. The WCM is identified in our simulations by its poloidal and radial distributions as well as its frequency and wavenumber spectra. Its produced radial particle flux is calculated and compared with the experimental value. The good agreement indicates that the WCM is an important particle transport channel in the I-mode pedestal. It is found that the WCM can transport particles across the strong outer shear layer of the Er well established in the formation of I-mode, based on which a possible explanation is provided why I-mode does not feature a density pedestal. The key point lies in the change of the cross-phase between the electric potential and density fluctuations induced by the E × B Doppler shift. In the strong shear layer, although the electric potential fluctuation is significantly suppressed, the cross-phase is close to π/2, resulting in a strong drive of the density fluctuation and particle transport. To identify the physical nature of the WCM, a linear dispersion relation for drift Alfvén modes is derived in the slab geometry. A drift Alfvén wave instability is found to have similar dependence to the simulated linear instability behind the WCM on the resistivity and the parallel electron pressure gradient and thermal force terms in the parallel Ohm's law.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

High-Performance CO 2 Capture from Air by Harnessing the Power of CaO- and Superbase-Ionic-Liquid-Engineered Sorbents

Direct air capture (DAC) of CO 2 by solid porous materials represents an attractive “negative emission” technology. However, state-of-the-art sorbents based on supported amines still suffer from unsolved high energy consumption and stability issues. For this work, taking clues from the CO 2 interaction with superbase-derived ionic liquids (SILs), high-performance and tunable sorbents in DAC of CO 2 was developed by harnessing the power of CaO- and SIL-engineered sorbents. Deploying mesoporous silica as the substrate, a thin CaO layer was first introduced to consume the surface-OH groups, and then active sites with different basicities (e. g., triazolate and imidazolate) were introduced as a uniformly distributed thin layer. The as-obtained sorbents displayed high CO 2 uptake capacity via volumetric (at 0.4 mbar) and breakthrough test (400 ppm CO 2 source), rapid interaction kinetics, facile CO 2 releasing, and stable sorption/desorption cycles. Operando diffuse reflectance infrared Fourier transformation spectroscopy (DRIFTS) analysis under simulated air atmosphere and solid-state NMR under 13 CO 2 atmosphere demonstrated the critical roles of the SIL species in low-concentration CO 2 capture. The fundamental insights obtained in this work provide guidance on the development of high-performance sorbents in DAC of CO 2 by leveraging the combined advantages of porous solid scaffolds and the unique features of CO 2 -philic ionic liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Evaluating Materials Design Parameters of Hole-Selective Contacts for Silicon Heterojunction Solar Cells

Silicon heterojunction (SHJ) solar cell efficiencies are limited by parasitic absorption from the hydrogenated amorphous silicon (a-Si:H) front contact, but this may be mitigated by selecting an alternative carrier selective contact material with a wider band gap. When choosing such a material as the hole-selective contact (“p-layer”), the alignment of the material's valence band edge energy (E VB ) with that of crystalline silicon (c-Si) is an important criterion, but several other material parameters can also influence the band bending at the contact interface. Here, we simulate an (n)c-Si/(i)a-Si:H/p-layer interface to explore the influence of six materials parameters in a variable p-layer on the SHJ performance. We find a strong influence on the fill factor (FF) from thickness, doping, and E VB , and on V OC from the interfacial defect density; notably, optimal E VB is ~ 0.1 eV higher than the valence band edge energy of a-Si:H. Multiparameter sensitivity analyses demonstrate how performance is simultaneously influenced by E VB and doping; thus, both parameters should be optimized alongside one another. To assess the influence of these parameters experimentally, we grow p-type NiO x as a test-case p-layer, which shows that FFs decrease with the oxygen content likely from the increased misalignment of E VB . Although modest efficiencies are achieved experimentally (>7%), what is important is that our model simulates performance trends. With these results, we apply a materials discovery pipeline to suggest new materials (e.g., ZnTe and BeTe) to try as p-layers in the SHJ. This combination of simulations, experiments, and materials discovery informs a better understanding of contact selection in SHJ cells.

14 SOLAR ENERGY↗
DOE OSTI2020

Effect of Molecular Weight and Layer Thickness on Dielectric Breakdown Strength of Neat and Homopolymer Swollen Lamellar Block Copolymer Films

Designing next-generation lightweight pulsed power devices hinges on understanding the factors influencing the energy storage performance of dielectric materials. Polymer dielectric films have a quadratic dependence of energy storage on the voltage breakdown strength and strategies to enhance the breakdown strength are expected to yield a path toward high energy storage densities. Highly stratified lamellar block copolymer (L-BCP) films of model polystyrene-b-polymethylmethacrylate (PS-b-PMMA) exhibited as much as ~50% enhancement in breakdown voltage (E BD ), (225 % increase in stored energy density, U~ E BD 2 ), compared to unordered as-cast L-BCP films. Such an energy density using amorphous polymer is on par with industry-standard semi-crystalline biaxially oriented polypropylene (BOPP), and as such a notable development in the field. This work develops a deeper understanding of the molecular mechanisms of E BD enhancement in L-BCP films, due to combination of interface formation and spatial isolation of the chain ends into segregated zones. We further confirm the role of chain ends in the breakdown process blending a low M n L-BCP with matched M n homopolymers to attain same layer spacing as neat L-BCP of higher M n . E BD shows a significant decrease at low homopolymer fractions due to increased net chain end density within swollen ordered L-BCP domains in wet-brush regime, followed by increased E BD due to layer thickness increase via segregated “interphase layer” formation by excess homopolymers. Notably, E BD of homopolymer swollen L-BCPs is always lower than neat L-BCP of the same domain spacing, due to overall adverse chain ends contribution from homopolymers. These findings provide important selection rules for L-BCPs for designing next-generation flexible electronics with high energy density solid-state BCP film capacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Scalar mixing in a Kelvin-Helmholtz shear layer and implications for Reynolds-averaged Navier-Stokes modeling of mixing layers

Large-eddy simulation of a temporally evolving Kelvin-Helmholtz (KH) mixing layer is performed with the tenth-order compact difference code miranda to examine the steady-state behavior of a passive scalar in a shear-driven mixing layer. It is shown that the integral behavior of scalar variance in a KH mixing layer behaves similarly to the integral behavior of scalar variance in a Rayleigh-Taylor (RT) mixing layer, and mixedness of the simulated KH shear layer tends towards a value of about 0.8. It is further shown that if the k-L-a-V Reynolds-averaged Navier-Stokes (RANS) model [B. E. Morgan et al., Phys. Rev. E 98, 033111 (2018)], calibrated to reproduce steady-state mixing in an RT layer, is applied to simulate a KH mixing layer, the RANS model will significantly overpredict the magnitude of scalar variance in the KH layer. A straightforward addition to the k-L-a-V model is then suggested, and self-similarity analysis is applied to determine constraints on model coefficients. Furthermore, it is shown that with the addition of a buoyancy production term in the model equation for scalar variance, it becomes possible to eliminate the model deficiency and match steady-state mixedness in simulations of both RT and KH mixing layers with a single model calibration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Record Energetics for an Inertial Fusion Implosion at NIF

Inertial confinement fusion seeks to create burning plasma conditions in a spherical capsule implosion, which requires efficiently absorbing the driver energy in the capsule, transferring that energy into kinetic energy of the imploding DT fuel and then into internal energy of the fuel at stagnation. In this work, we report new implosions conducted on the National Ignition Facility (NIF) with several improvements on recent work [Phys. Rev. Lett. 120, 245003 (2018); Phys. Rev. E 102, 023210 (2020)]: larger capsules, thicker fuel layers to mitigate fuel-ablator mix, and new symmetry control via cross-beam energy transfer; at modest velocities, these experiments achieve record values for the implosion energetics figures of merit as well as fusion yield for a NIF experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The nanoscale distribution of copper and its influence on charge collection in CdTe solar cells

For decades, Cu has been the primary dopant in CdTe photovoltaic absorbers. Typically, Cu acceptor concentrations in these devices are on the order of 1 1014 cm-3, which has made it notoriously difficult to directly correlate nanoscale Cu distributions to the local charge transport properties of these devices. To measure and correlate these properties, measurement techniques require high sensitivity to elemental concentration, large penetration depth, and operando compatibility. Techniques such as secondary-ion mass spectroscopy and X-ray energy dispersive spectroscopy are widely adopted to measure Cu concentrations, but they are limited by penetration depth, sensitivity, or spatial resolution. Additionally, they lack the operando capabilities required to correlate one-to-one Cu concentrations to electrical performance. In this work, correlative X-ray microscopy is used to investigate the spatial distribution of Cu and its impact on charge collection through the depth and breadth of CdTe photovoltaic devices. Plan-view, nanoscale X-ray fluorescence maps clearly demonstrate the spatial segregation of copper around regions thought to be CdTe grain boundaries. Complementary cross-section imaging unveils the transition of the maximum charge-collection efficiency from the ZnTe-CdTe interface to the CdS-CdTe interface as a function of Cu incorporation. The copper concentration through the depth of the CdTe layer is characterized by slow and fast diffusion components, and cross-section charge-transport modeling shows that the experimentally obtained charge collection can be explained by the modeled acceptor distribution through the depth of the CdTe layer.

14 SOLAR ENERGY↗