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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Structural Asymmetry and Chiral-Induced Spin Selectivity in Chiral Palladium-Halide Semiconductors

Chiral Pb-free metal-halide semiconductors (MHSs) have attracted considerable attention in the field of spintronics due to various interesting spin-related properties and chiral-induced spin selectivity (CISS) effect. Despite their excellent chemical and structural tunability, the material scope and crystal structure of Pb-free chiral MHSs exhibiting the CISS effect are still limited; chiral MHSs that have metal-halide structures of octahedra and tetrahedra are only reported. Here, we report a new class of chiral MHSs, of which palladium (Pd)-halides are formed in 1D square-pyramidal structures or 0D square-planar structures, with a general formula of ((R/S-MBA) 2 PdBr 4 ) 1-x ((R/S-MBA) 2 PdCl 4 ) x (MBA = methylbenzylammonium; x = 0, 0.25, 0.5, 0.75, and 1) for the first time. The crystals adopt the 1D helical chain of Pd-halide square-pyramid (for x = 0, 0.25, 0.5, and 0.75) and 0D structure of Pd-halide square-plane (for x = 1). All the Pd-halides are distorted by the interaction between the halide and the chiral organic ammonium and arranged in a noncentrosymmetric position. Circular dichroism (CD) for ((R/S-MBA) 2 PdBr 4 ) 1-x ((R/S-MBA) 2 PdCl 4 ) x indicates that chirality was transferred from chiral organic ammonium to Pd-halide inorganics. ((R-MBA) 2 PdBr 4 ) 1-x ((R-MBA) 2 PdCl 4 ) x (x = 0, 0.25, 0.5, and 0.75) shows a distortion index of 0.127-0.128, which is the highest value among the previously reported chiral MHSs to the best of our knowledge. We also find that (R/S-MBA) 2 Pd(Br 1-x Cl x ) 4 crystals grow along the out-of-plane direction during spin coating and have high c-axis orientation and crystallinity, and (R/S-MBA) 2 Pd(Br 1-x Cl x ) 4 (x = 0 and 0.5) crystals exhibit a CISS effect in polycrystalline bulk films. In conclusion, these results demonstrate the possibility of a new metal-halide series with square-planar structures or square-pyramidal structures for future spintronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Asymmetry underlies stability in power grids

Abstract Behavioral homogeneity is often critical for the functioning of network systems of interacting entities. In power grids, whose stable operation requires generator frequencies to be synchronized—and thus homogeneous—across the network, previous work suggests that the stability of synchronous states can be improved by making the generators homogeneous. Here, we show that a substantial additional improvement is possible by instead making the generators suitably heterogeneous. We develop a general method for attributing this counterintuitive effect to converse symmetry breaking , a recently established phenomenon in which the system must be asymmetric to maintain a stable symmetric state. These findings constitute the first demonstration of converse symmetry breaking in real-world systems, and our method promises to enable identification of this phenomenon in other networks whose functions rely on behavioral homogeneity.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria

The photochemical reaction center (RC) features a dimeric architecture for charge separation across the membrane. In green sulfur bacteria (GSB), the trimeric Fenna-Matthews-Olson (FMO) complex mediates the transfer of light energy from the chlorosome antenna complex to the RC. Here we determine the structure of the photosynthetic supercomplex from the GSB Chlorobaculum tepidum using single-particle cryogenic electron microscopy (cryo-EM) and identify the cytochrome c subunit (PscC), two accessory protein subunits (PscE and PscF), a second FMO trimeric complex, and a linker pigment between FMO and the RC core. The protein subunits that are assembled with the symmetric RC core generate an asymmetric photosynthetic supercomplex. One linker bacteriochlorophyll (BChl) is located in one of the two FMO-PscA interfaces, leading to differential efficiencies of the two energy transfer branches. The two FMO trimeric complexes establish two different binding interfaces with the RC cytoplasmic surface, driven by the associated accessory subunits. This structure of the GSB photosynthetic supercomplex provides mechanistic insight into the light excitation energy transfer routes and a possible evolutionary transition intermediate of the bacterial photosynthetic supercomplex from the primitive homodimeric RC.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Reconstructing 3D asymmetries in laser-direct-drive implosions on OMEGA

Three-dimensional reconstruction algorithms have been developed which determine the hot-spot velocity, hot-spot apparent ion temperature distribution, and fuel areal density distribution present in laser-direct-drive inertial con finement fusion implosions on the OMEGA laser. These reconstructions rely on multiple independent measurements of the neutron energy spectrum emitted from the fusing plasma. Measurements of the neutron energy spectrum on OMEGA are made using a suite of quasi-orthogonal neutron time-of-flight detectors and a magnetic recoil spectrometer. These spectrometers are positioned strategically around the OMEGA target chamber to provide unique 3-D measurements of the conditions of the fusing hot spot and compressed fuel near peak compression. Here, the uncertainties involved in these 3-D reconstructions are discussed and are used to identify a new nTOF diagnostic line of sight which when built will reduce the uncertainty in the hot-spot apparent ion temperature distribution from 0.7 to < 0.4 keV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Impact of areal-density asymmetries on the loss of confinement and ignition threshold in inertial confinement fusion capsules

In inertial confinement fusion implosion experiments, variations in the shell areal density reduce the shell’s inertia to confine the core pressure. Distorted capsules with large areal-density modulations decompress faster than uniform capsules in the disassembly phase. A simple 3-D analytic hot-spot model is derived to include the effects of low-mode areal-density modulations in the ignition criterion. The generalized 3-D ignition criterion for low modes is shown to depend on both the harmonic mean and the arithmetic mean of the areal density. Here, the “thin spots” in the shell are shown to dominate the loss of confinement as reflected by the harmonic mean definition of areal densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Interfacial water asymmetry at ideal electrochemical interfaces

Controlling electrochemical reactivity requires a detailed understanding of the charging behavior and thermodynamics of the electrochemical interface. Experiments can independently probe the overall charge response of the electrochemical double layer by capacitance measurements and the thermodynamics of the inner layer with potential of maximum entropy measurements. Relating these properties by computational modeling of the electrochemical interface has so far been challenging due to the low accuracy of classical molecular dynamics (MD) for capacitance and the limited time and length scales of ab initio MD. Here, we combine large ensembles of long-time-scale classical MD simulations with charge response from electronic density functional theory to predict the potential-dependent capacitance of a family of ideal aqueous electrochemical interfaces with different peak capacitances. We show that while the potential of maximum capacitance varies, this entire family exhibits an electrode charge of maximum capacitance (CMC) between -2.9 and -2.2 μC/cm 2 , regardless of the details in the electronic response. Simulated heating of the same interfaces reveals that the entropy peaks at a charge of maximum entropy (CME) of -5.1 ± 0.6 μC/cm 2 , in agreement with experimental findings for metallic electrodes. The CME and CMC both indicate asymmetric response of interfacial water that is stronger for negatively charged electrodes, while the difference between CME and CMC illustrates the richness in behavior of even the ideal electrochemical interface.

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

X-ray-imaging spectrometer (XRIS) for studies of residual kinetic energy and low-mode asymmetries in inertial confinement fusion implosions at OMEGA (invited)

A system of x-ray imaging spectrometer (XRIS) has been implemented at the OMEGA Laser Facility and is capable of spatially and spectrally resolving x-ray self-emission from 5 to 40 keV. The system consists of three independent imagers with nearly orthogonal lines of sight for 3D reconstructions of the x-ray emission region. The distinct advantage of the XRIS system is its large dynamic range, which is enabled by the use of tantalum apertures with radii ranging from 50 μm to 1 mm, magnifications of 4 to 35×, and image plates with any filtration level. In addition, XRIS is capable of recording 1–100’s images along a single line of sight, facilitating advanced statistical inference on the detailed structure of the x-ray emitting regions. Properties such as P0 and P2 of an implosion are measured to 1% and 10% precision, respectively. Furthermore, T e can be determined with 5% accuracy.

Adrian, P. J.↗
DOE OSTI2021

Influence of up-down asymmetry in plasma shape on RMP response

Shaping effect on the plasma response to the externally applied resonant magnetic perturbation field is investigated for both DIII-D and MAST experiments, utilizing toroidal modeling. The plasma boundary shape is systematically varied ranging from single-null (SN) to double-null (DN) configurations, while other equilibrium quantities are kept largely unchanged. The relative amplitude of the computed plasma surface displacement, between the top/bottom of the torus and the outboard mid-plane, is identified as the most reliable indicator that distinguishes the plasma response between the SN and DN configurations. Here, the underlying physics is the weakening of the edge-peeling component in the plasma response with increasing up-down symmetry of the plasma boundary shape.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Final SeaQuest Results on the Flavor Asymmetry of the Proton Light-Quark Sea with Proton-Induced Drell-Yan Process

The Fermilab E906/SeaQuest collaboration performed measurements of the Drell-Yan process using 120 GeV proton beams bombarding liquid hydrogen and liquid deuterium targets. A combined analysis of all collected data was performed to obtain the final results for the 𝜎 𝑝⁢𝑑 /2⁢𝜎 𝑝⁢𝑝 Drell-Yan cross section ratio covering the kinematic region of 0.13 < 𝑥 <0.45. The 𝑥 dependencies of $\bar{d}$(𝑥)/$\bar{𝑢}$⁡(𝑥) and $\bar{d}$(𝑥) $-$ $\bar{𝑢}$⁡(𝑥) are extracted from these cross section ratios. It is found that $\bar{d}$(𝑥) is greater than $\bar{𝑢}$⁡(𝑥) over the entire measured 𝑥 range, with improved statistical accuracy compared to previous measurements. The new results on $\bar{d}$(𝑥)/$\bar{𝑢}$⁡(𝑥) and $\bar{d}$(𝑥) $-$ $\bar{𝑢}$⁡(𝑥) are compared to various parton distribution functions and theoretical calculations.

Leung, C. H. [University of Illinois at Urbana-Cha↗
DOE OSTI2023

Local structure, bonding, and asymmetry of $\mathrm{((NH_2)_2CH)PbBr_3}$, $\mathrm{CsPbBr_3}$, and $\mathrm{(CH_3MH_3)PbBr_3}$

Here we report local structure measurements for CsPbBr 3 and ((NH 2 ) 2 CH)PbBr 3 (FAPbBr 3 ) and compare them with recent results for (CH 3 NH 3 )PbBr 3 (MAPbBr 3 ). The Pb-Br bonding is similar for all three systems; the effective spring constants, κ, are comparable (ranging from 1.20 to 1.95 eV/Å 2 ), but small in magnitude indicating very soft materials. However, there are also important differences between the three systems. Static disorder is very small for CsPbBr3 but increases somewhat with the size of the organic molecular ions MA + and FA + . At room temperature, dynamic disorder dominates in all compounds. The thermal disorder of the Pb-Br pair distribution function (PDF), i.e., the Debye-Waller factor σ 2 follows a correlated Debye or Einstein model up to 300 K in CsPbBr 3 (orthorhombic phase), but for FAPbBr 3 and MAPbBr 3 , there is a break in the σ 2 (T) curve at the orthorhombic-tetragonal transition (o-t) near 150 K, indicating a small change in the spring constant κ. κ increases for MAPbBr 3 but decreases in FAPbBr 3 at this transition. These changes are attributed to changes in the H-bonding between Br - and MA + or FA + at this transition, as a result of librations or rotations of these molecular cations. In addition, the Pb-Br PDF becomes asymmetric at a relatively low temperature for FAPbBr 3 and MAPbBr 3 , while this effect is significantly smaller for CsPbBr 3 . Finally, we address the question of a model to explain the asymmetric PDF. Two main models are discussed in the literature, an anharmonic pair potential and a split-pair distribution, possibly driven by the presence of a lone pair on the Pb ion. We show that the fourth cumulant C 4 can differentiate between these two models and other possible models. Experimentally C 4 is positive at 250 K and above, for all three systems and that is inconsistent with a split-peak model, for which C 4 is negative for splittings larger than 0.12 Å.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗