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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Moiré and beyond in transition metal dichalcogenide twisted bilayers

Abstract Fabricating van der Waals bilayer heterostructures (BL-HS) by stacking the same or different two-dimensional layers, offers a unique physical system with rich electronic and optical properties. Twist-angle between component layers has emerged as a remarkable parameter that can control the period of lateral confinement, and nature of the exciton (Coulomb bound electron–hole pair) in reciprocal space thus creating exotic physical states including moiré excitons (MXs). In this review article, we focus on opto-electronic properties of excitons in transition metal dichalcogenide semiconductor twisted BL-HS. We look at existing evidence of MXs in localized and strongly correlated states, and at nanoscale mapping of moiré superlattice and lattice-reconstruction. This review will be helpful in guiding the community as well as motivating work in areas such as near-field optical measurements and controlling the creation of novel physical states.

Materials Science↗
DOE OSTI2014

Asymptotic theory of double layer and shielding of electric field at the edge of illuminated plasma

The method of matched asymptotic expansions is applied to the problem of a collisionless plasma generated by UV illumination localized in a central part of the plasma in the limiting case of small Debye length λ{sub D}. A second-approximation asymptotic solution is found for the double layer positioned at the boundary of the illuminated region and for the un-illuminated plasma for the plane geometry. Numerical calculations for different values of λ{sub D} are reported and found to confirm the asymptotic results. The net integral space charge of the double layer is asymptotically small, although in the plane geometry it is just sufficient to shield the ambipolar electric field existing in the illuminated region and thus to prevent it from penetrating into the un-illuminated region. The double layer has the same mathematical nature as the intermediate transition layer separating an active plasma and a collisionless sheath, and the underlying physics is also the same. In essence, the two layers represent the same physical object: a transonic layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Spin-state transition induced half metallicity in a cobaltate from first principles

Half metal is a promising spintronic material. Here, we explore, using first principles calculations, a spin-state transition induced half metallicity in a layered cobaltate via a physical or chemical pressure. Our exemplary first principles study shows that the layered cobaltate Sr{sub 2}CoO{sub 3}F would undergo a transition, under a pressure of 5.4 GPa, from a high-spin antiferromagnetic insulator to an intermediate-spin ferromagnetic half-metal. The former phase is associated with a superexchange in a Mott insulator, and the latter one is due to a broad band formation and a kinetic energy gain of the partially occupied e{sub g} orbital. Note that the above transition could also be induced by a chemical pressure via doping in (Sr{sub 1−x}Ca{sub x}){sub 2}CoO{sub 3}F (x > 0.3). This work suggests that a cobaltate would be of a particular interest if stabilized into an intermediate-spin state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Measured and calculated optical property profiles in the mixed layer and free troposphere

Nearly simultaneous measurements of the physical and optical properties of mixed layer and free tropospheric aerosols near Boulder, Colorado, were made on several occasions using aircraft, balloon, and ground-based sensors. This effort (Front Range Lidar, Aircraft, and Balloon experiment (FRLAB)) was conducted with the purpose of obtaining a diverse, self-consistent data set that could be used for testing optical model calculations based on measured physical characteristics such as apparent size distribution, composition, and shape. It was found that even with the uncertainties involved, the model predictions are in good agreement with the measurements in the visible and near infrared wavelength regions. At CO2 lidar wavelengths there is considerably more uncertainty in both the calculated and measured values; however, within the estimated errors there appears to be satisfactory agreement except for the highest free tropospheric layer studied. The results also indicate that during FRLAB the aerosol in the boundary layer and free troposphere behaved as spherical particles for optical modeling purposes. The utility of the observations for determining the extinction-to-backscatter ratio relevant to aerosols in the boundary layer and free troposphere is described with typical measured values being in the 20 to 30 sr range.

Rosen, James M.↗
DOE OSTI2021

Electronic Structure and Stacking Arrangement of Tungsten Disulfide at the Gold Contact

There is an intensive effort to control the nature of attractive interactions between ultrathin semiconductors and metals and to understand its impact on the electronic properties at the junction. In this work, we present a photoelectron spectroscopy study on the interface between WS 2 films and gold, with a focus on the occupied electronic states near the Brillouin zone center (i.e., the Γ point). To delineate the spectra of WS 2 supported on crystalline Au from the suspended WS 2 , we employ a microscopy approach and a tailored sample structure, in which the WS 2 /Au junction forms a semi-epitaxial relationship and is adjacent to suspended WS 2 regions. The photoelectron spectra, as a function of WS 2 thickness, display the expected splitting of the highest occupied states at the Γ point. In multilayer WS 2 , we discovered variations in the electronic states that spatially align with the crystalline grains of underlying Au. Corroborated by density functional theory calculations, we attribute the electronic structure variations to stacking variations within the WS 2 films. We propose that strong interactions exerted by Au grains cause slippage of the interfacing WS 2 layer with respect to the rest of the WS 2 film. Our findings illustrate that the electronic properties of transition metal dichalcogenides, and more generally 2D layered materials, are physically altered by the interactions with the interfacing materials, in addition to the electron screening and defects that have been widely considered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Detailed photoluminescence studies of thin film Cu{sub 2}S for determination of quasi-Fermi level splitting and defect levels

We have studied chalcocite (Cu{sub 2}S) layers prepared by physical vapor deposition with varying deposition parameters by calibrated spectral photoluminescence (PL) and by confocal PL with lateral resolution of Δ x≈0.9 μm. Calibrated PL experiments as a function of temperature T and excitation fluxes were performed to obtain the absolute PL-yield and to calculate the splitting of the quasi-Fermi levels (QFLs) μ=E{sub f,n}−E{sub f,p} at an excitation flux equivalent to the AM 1.5 spectrum and the absorption coefficient α(ℏω), both in the temperature range of 20 K≤T≤400 K. The PL-spectra reveal two peaks at E{sub #1}=1.17 eV and E{sub #2}=1.3 eV. The samples show a QFL-splitting of μ>700 meV associated with a pseudo band gap of E{sub g}=1.25 eV. The high-energy peak shows an unexpected temperature behavior, namely, an increase of PL-yield with rising temperature at variance with the behavior of QFL-splitting that decreases with rising T. Our observations indicate that, contrary to common believe, it is not the PL-yield, but rather the QFL-splitting that is the comprehensive indicator of the quality of the excited state in an illuminated semiconductor. A further examination of the lateral variation of opto-electronic properties by confocal PL and the surface contour shows no detectable correlation between Cu{sub 2}S grains/grain boundaries and the PL-yield or QFL-splitting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Experimental study of energy transfer in double shell implosions

Advances in target fabrication have made double shell capsule implosions a viable platform to study burning fusion plasmas. Central to the double shell capsule is a high-Z (e.g., Au) metal pusher that accesses the volume-burn regime by reducing radiative losses through radiation trapping and compressing a uniform fuel volume at reduced velocities. A double shell implosion relies on a series of energy transfer processes starting from x-ray absorption by the outer shell, followed by transfer of kinetic energy to an inner shell, and finally conversion of kinetic energy to fuel internal energy. We present simulation and experimental results on momentum transfer to different layers in a double shell. We also present the details of the development of the NIF cylindrical hohlraum double shell platform including an imaging shell design with a mid-Z inner shell necessary for imaging the inner shell shape and the trajectory with the current 2DConA platform capability. We examine 1D energy transfer between shell layers using trajectory measurements from a series of surrogate targets; the series builds to a complete double shell layer by layer, isolating the physics of each step of the energy transfer process. Here, the measured energy transfer to the foam cushion and the inner shell suggests that our radiation-hydrodynamics simulations capture most of the relevant collision physics. With a 1 MJ laser drive, the experimental data indicate that 22% ± 3% of the ablator kinetic energy couples into inner shell KE, compared to a 27% ± 2% coupling in our xRAGE simulations. Thus, our xRAGE simulations match experimental energy transfer to ~5%, without inclusion of higher order 2D and 3D effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Intercalation leads to inverse layer dependence of friction on chemically doped MoS 2

Here, we present results of atomic-force-microscopy-based friction measurements on Re-doped molybdenum disulfide (MoS 2 ). In stark contrast to the widespread observation of decreasing friction with increasing number of layers on two-dimensional (2D) materials, friction on Re-doped MoS 2 exhibits an anomalous, i.e. inverse, dependence on the number of layers. Raman spectroscopy measurements combined with ab initio calculations reveal signatures of Re intercalation. Calculations suggest an increase in out-of-plane stiffness that inversely correlates with the number of layers as the physical mechanism behind this remarkable observation, revealing a distinctive regime of puckering for 2D materials.

42 ENGINEERING↗
DOE OSTI2026

Progress and innovations in the TCV tokamak research programme

Research on the Tokamak à Configuration Variable addresses a wide range of key questions relevant to ITER and future fusion power plants. Over the past two years, highly productive experimental campaigns have led to major advances across several areas: the ITER baseline scenario; pedestal properties in low-collisionality, peeling-limited conditions; and the development of high- β N , non-inductive regimes. Alternative high-confinement scenarios have likewise received significant attention, with remarkable progress in quasi-continuous exhaust operation, X-point radiator plasmas, and negative triangularity configurations. Substantial achievements were also made in the mitigation or benign termination of runaway electron beams, in elucidating fast-ion loss mechanisms, and in improving exhaust behaviour in both conventional and alternative divertor geometries. These experimental results have been strongly supported by advances in modelling and their direct application to the experiment, ranging from gyrokinetic simulations of core and pedestal turbulence to fluid-based studies of scrape-off layer and divertor physics in diverse geometries. Plasma control has taken on an increasingly important role, with model-based and data-driven approaches now closely intertwined with physics studies. This article provides a overview of these recent activities, together with a brief outlook on forthcoming upgrades and next steps.

EPFL↗
DOE OSTI2016

Low-Cd CIGS solar cells made with a hybrid CdS/Zn(O,S) buffer layer

In Cu(In,Ga)Se2 (CIGS) solar cells, CdS and Zn(O,S) buffer layers were compared with a hybrid buffer layer consisting of thin CdS followed Zn(O,S). We explore the physics of this hybrid layer that combines the standard (Cd) approach with the alternative (Zn) approach in the pursuit to unlock further potential for CIGS technology. CdS buffer development has shown optimal interface properties, whereas Zn(O,S) buffer development has shown increased photocurrent. Although a totally Cd-free solar module is more marketable, the retention of a small amount of Cd can be beneficial to achieve optimum junction properties. As long as the amount of Cd is reduced to less than 0.01% by weight, the presence of Cd does not violate the hazardous substance restrictions of the European Union (EU). We estimate the amount of Cd allowed in the EU for CIGS on both glass and stainless steel substrates, and we show that reducing Cd becomes increasingly important as substrate weights decrease. As a result, this hybrid buffer layer had reduced Cd content and a wider space charge region, while achieving equal or better solar cell performance than buffer layers of either CdS or Zn(O,S) alone.

14 SOLAR ENERGY↗
DOE OSTI2020

Nitrogen in black phosphorus structure

Group V elements in crystal structure isostructural to black phosphorus with unique puckered two-dimensional layers exhibit exciting physical and chemical phenomena. However, as the first element of group V, nitrogen has never been found in the black phosphorus structure. Here, we report the synthesis of the black phosphorus–structured nitrogen at 146 GPa and 2200 K. Metastable black phosphorus–structured nitrogen was retained after quenching it to room temperature under compression and characterized in situ during decompression to 48 GPa, using synchrotron x-ray diffraction and Raman spectroscopy. We show that the original molecular nitrogen is transformed into extended single-bonded structure through gauche and trans conformations. Raman spectroscopy shows that black phosphorus–structured nitrogen is strongly anisotropic and exhibits high Raman intensities in two A g normal modes. Synthesis of black phosphorus–structured nitrogen provides a firm base for exploring new type of high-energy-density nitrogen and a new direction of two-dimensional nitrogen.

58 GEOSCIENCES↗
DOE OSTI2020

The transient properties of 2D magnets: from mechanical exfoliation to ultrafast optical spectroscopy of CrX 3 materials

The discovery of two-dimensional (2D) systems hosting intrinsic long-range magnetic order represents a seminal achievement, adding to the already diverse array of physics supported by layered van der Waals (vdW) materials. This finding has spurred great interest among the research community, with efforts aimed at uncovering their fundamental properties and light- matter interactions. A prototypical example of a 2D magnetic material is Crl 3 , where the strong relationship between crystalline structure and magnetic order, along with strong light- matter interactions, provide a promising platform to explore the nature of couplings between magnetism and the other degrees of freedom at the 2D limit. In this report, we highlight our efforts involving the use of time-resolved magneto-optical Kerr effect (TR-MOKE) spectroscopy to probe the magnetization and vibrational dynamics of Crl 3 . These measurements reveal evidence of strong exchange-mediated coupling between lattice vibrations and spin oscillations. Additionally, we discuss our related efforts to explore other material from the Chromium trihalide family through mechanical exfoliation to support subsequent optical spectroscopy investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Projected Network Model of Online Disinformation Cascades

Within the past half-decade, it has become overwhelmingly clear that suppressing the spread of deliberate false and misleading information is of the utmost importance for protecting democratic institutions. Disinformation has been found to come from both foreign and domestic actors, but the effects from either can be disastrous. From the simple encouragement of unwarranted distrust to conspiracy theories promoting violence, the results of disinformation have put the functionality of American democracy under direct threat. Present scientific challenges posed by this problem include detecting disinformation, quantifying its potential impact, and preventing its amplification. We present a model on which we can experiment with possible strategies toward the third challenge: the prevention of amplification. This is a social contagion network model, which is decomposed into layers to represent physical, ''offline'', interactions as well as virtual interactions on a social media platform. Along with the topological modifications to the standard contagion model, we use state-transition rules designed specifically for disinformation, and distinguish between contagious and non-contagious infected nodes. We use this framework to explore the effect of grassroots social movements on the size of disinformation cascades by simulating these cascades in scenarios where a proportion of the agents remove themselves from the social platform. We also test the efficacy of strategies that could be implemented at the administrative level by the online platform to minimize such spread. These top-down strategies include banning agents who disseminate false information, or providing corrective information to individuals exposed to false information to decrease their probability of believing it. We find an abrupt transition to smaller cascades when a critical number of random agents are removed from the platform, as well as steady decreases in the size of cascades with increasingly more convincing corrective information. Finally, we compare simulated cascades on this framework with real cascades of disinformation recorded on Whatsapp surrounding the 2019 Indian election. We find a set of hyperparameter values that produces a distribution of cascades matching the scaling exponent of the distribution of actual cascades recorded in the dataset. We acknowledge the available future directions for improving the performance of the framework and validation methods, as well as ways to extend the model to capture additional features of social contagion.

42 ENGINEERING↗
DOE OSTI2026

The Effect of Inverse Compton Losses on Particle Acceleration in Three-dimensional Relativistic Reconnection

Relativistic magnetic reconnection is a key mechanism for dissipating magnetic energy and accelerating particles in astrophysics. In the absence of radiative cooling, recent particle-in-cell (PIC) simulations have shown that high-energy particles gain most of their energy in the upstream region, during a short-lived “free phase” where they meander between the two sides of the layer; when they get captured/trapped by the downstream flux ropes, they undergo a “trapped phase,” where no significant energization occurs. Here, we perform a suite of 3D PIC simulations of relativistic reconnection, including inverse Compton (IC) losses in the weakly cooled regime in which the radiation-reaction-limited Lorentz factor γrad exceeds the magnetization σ. We show that electron cooling losses do not appreciably alter the reconnection rate, the structure of the layer, and the physics of particle acceleration in the free phase, so the spectrum of free electrons is dN free /dγ ∝ γ −1 , as in the uncooled case. The spectrum of trapped electrons above the cooling break γcool (in the range γ cool < γ < γ rad ) is dN/dγ ∝ γ −3 , steeper than the scaling dN/dγ ∝ γ −2 of uncooled simulations. This confirms that no significant particle energization occurs during the trapped phase. Our results validate the model by Zhang et al. for particle acceleration in 3D relativistic reconnection, and imply that radiative emission models of reconnection-powered astrophysical sources should employ a two-zone structure that differentiates between free, rapidly accelerating particles and trapped, passively cooling particles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

The effect of inverse Compton losses on particle acceleration in three-dimensional relativistic reconnection

Relativistic magnetic reconnection is a key mechanism for dissipating magnetic energy and accelerating particles in astrophysics. In the absence of radiative cooling, recent particle-in-cell (PIC) simulations have shown that high-energy particles gain most of their energy in the upstream region, during a short-lived "free phase" where they meander between the two sides of the layer; when they get captured/trapped by the downstream flux ropes, they undergo a "trapped phase", where no significant energization occurs. Here, we perform a suite of 3D PIC simulations of relativistic reconnection including inverse Compton (IC) losses in the weakly cooled regime in which the radiation-reaction-limited Lorentz factor $γ_{\rm rad}$ exceeds the magnetization $σ$. We show that electron cooling losses do not appreciably alter the reconnection rate, the structure of the layer, and the physics of particle acceleration in the free phase, so the spectrum of free electrons is $dN_{\rm free}/dγ\propto γ^{-1}$, as in the uncooled case. The spectrum of trapped electrons above the cooling break $γ_{\rm cool}$ (in the range $γ_{\rm cool}<γ<γ_{\rm rad}$) is $dN/dγ\propto γ^{-3}$, steeper than the scaling $dN/dγ\propto γ^{-2}$ of uncooled simulations. This confirms that no significant particle energization occurs during the trapped phase. Our results validate the model by arXiv:2302.12269 for particle acceleration in 3D relativistic reconnection, and imply that radiative emission models of reconnection-powered astrophysical sources should employ a two-zone structure, that differentiates between free, rapidly accelerating particles and trapped, passively cooling particles.

FOS: Physical sciences↗
NASA NTRS1973

Grain size analysis and high frequency electrical properties of Apollo 15 and 16 samples

The particle size distribution of eleven surface fines samples collected by Apollo 15 and 16 was determined by the method of measuring the sedimentation rate in a column of water. The fact that the grain size distribution in the core samples shows significant differences within a few centimeters variation of depth is important for the understanding of the surface transportation processes which are responsible for the deposition of thin layers of different physical and/or chemical origin. The variation with density of the absorption length is plotted, and results would indicate that for the case of meter wavelength radar waves, reflections from depths of more than 100 meters generally contribute significantly to the radar echoes obtained.

Gold, T.↗
NASA NTRS1982

Use of high L.E.T. radiation to improve adhesion of metals to polytetrafluoroethylene

MgK alpha X-rays (1254 eV) and 2 keV electrons irradiate the surface of polytetrafluoro ethylene (PTFE). The damage is confined to a few tenths of a micron below the surface, and the doses exceed 10 to the eight power rad. X-ray Photoelectron Spectroscopy (XPS) of the irradiated surfaces and mass spectroscopy of the gaseous products of irradiation indicate that the damaged layer is crosslinked or branched PTFE. After either type of irradiation, the surface has enhanced affinity for metals and a lower contact angle with hexadecane. Tape pull tests show that evaporated Ni and Au films adhere better to the irradiated surface. XPS shows the Ni interacts chemically with PTFE forming NiF2 and possibly NiC. However, the gold adhesion and contact angle results indicate that the interaction is, at least in part, chemically nonspecific. Decreased contact angles on FEP Teflon crystallized against gold were attributed to either the presence of a polar oxygen layer or increased physical forces due to greater density. In the case of irradiated PTFE, no oxygen on the surface was observed. The crosslinked structure might, however, have a greater density, thus accounting for the observed increase in adhesion and wettability.

Wheeler, D. R.↗