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At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Control over Banded Morphologies and Circular Dichroism in Chiral Halide Perovskites

Chiral halide perovskites (c-HPs) merge the chirality of organic cations with the semiconducting properties of metal halide frameworks, creating a family of chiral semiconductors with tunable chiroptoelectronic behavior. Here, we describe the impact of periodic banded morphologies of textured c-HP ( R/S -NEA) 2 PbBr 4 films (NEA = 1- (1-naphthyl)ethylammonium) on their chiroptical behavior. Due to the interplay between the crystalline and glassy phases, the c-HP film growth is driven by rhythmic precipitation, producing a distinctive controllable radial banded pattern with the ( R/S -NEA) 2 PbBr 4 inorganic planes oriented parallel to the substrate. The banded morphology can be controlled, as evidenced by the growth temperature dictating the ridge-to-ridge spacing as well as the density of banded regions. The resulting circular dichroism (CD) spectral shape, intensity, and polarity vary in a seemingly random manner across processing conditions. However, these spectral features can be explained by considering key features of the banded morphology, such as refraction of the incident light due to surface morphology, birefringence, and stacked, rotated crystallites. These effects cannot be canceled by averaging front and back CD spectra of c-HP films, and our model incorporating these effects reproduces all observed CD spectra remarkably well. The control over the c-HP morphology and prediction capabilities of our CD modeling leads to further understanding of this class of semiconductors and the possibility of exploiting structural features for light polarization control akin to enhanced metamaterials.

14 SOLAR ENERGY↗
DOE OSTI2026

Vapor-Phase Heteroatom Incorporation into Semiconductive Molecular-Scale Magic-Size Clusters

Magic-size metal chalcogenide clusters of molecular size exhibit well-defined structure and unique properties that might be further expanded with the incorporation or substitution of a second metal. Here, we report the postmodification of magic-size clusters synthesized in polymer thin films via exposure to volatile metal organic precursors commonly utilized for atomic layer deposition. Exposure of In 6 S 6 (CH 3 ) 6 clusters to dimethylcadmium results in exposure-dependent incorporation of Cd 2+ , which extends the optical absorbance of the clusters into the visible spectrum. The mechanism for Cd 2+ incorporation is consistent with Cd 2+ replacement of In 3+ that includes methyl ligand removal to maintain charge neutrality. Even for clusters embedded in a polymer matrix, ligand loss leads to sintering and transformation into larger nanoscale aggregates with zinc blende-type structure. The extent of Cd incorporation can be modulated by varying the process temperature and volatile metal organic exposure as well as the choice of volatile metal organic precursor. A computational thermodynamic analysis of heteroatom incorporation for several metals and chemistries reveals that both the stability of the substituted cluster and the favorability of reaction byproducts jointly determine the favorability of cation incorporation.

atomic layer deposition↗
DOE OSTI2024

Emergence of a Low-Energy Peak in the Smoothed Absolute Value Circular Dichroism Spectra of Small Helical Gold Nanorods

We calculate, using time-dependent density functional theory, absorption and circular dichroism (CD) spectra for a series of small helical gold nanorod structures with a width of 0.6 nm and length increasing from 0.7 nm for Au 24 to 1.9 nm for Au 56 . For a low-energy window, ranging from 1.7 to 4.1 eV, broadening the lines in the absorption spectra results in a low energy peak which previous studies have identified as the (localized) plasmon resonance. As expected, the absorption peak position of the plasmon resonance systematically redshifts as the length of the nanorod increases. However, trends in the CD and straightforwardly broadened CD spectra are more difficult to discern. We introduce the idea of an absolute value CD spectrum and show that broadening the lines results in a low energy peak that has not previously been reported. The peak position systematically redshifts as the length of the nanorod increases but over a significantly smaller range than that for the absorption spectrum.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Discovering and Designing a Chimeric Hyperthermophilic Chitinase for Crystalline Chitin Degradation

Chitin is one of the most abundant renewable biopolymers on earth. However, it is highly crystalline and recalcitrant to degrade. Here, we report a hyperthermophilic chitinase (ActChi) to directly hydrolyze crystalline chitin at its optimal temperature of 80 °C. It contains a malectin domain, a fibronectin type-III (Fn3) domain, and a catalytic domain (CD chi ). Both Fn3 and malectin have the function of chitin binding domain (ChBD) to increase the activity. Fn3 also significantly increases thermostability, but malectin decreases it. To enhance both activity and thermostability, here we introduced a heterogeneous and hyperthermophilic ChBD at the N-terminus of CD chi to obtain ChBD-CD chi . The activity of this hybrid enzyme is 201 U/μmol for crystalline chitin, which has increased 400% compared with that of ActChi. In addition, ChBD-CD chi can continuously degrade crystalline chitin for more than 4 days at 70 °C to increase the overall hydrolysis rate. The strategy is a good example of green sustainable degradation for crystalline biopolymer in nature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The advancing wave front on a sloping channel covered by a rod canopy following an instantaneous dam break

The drag coefficient Cd for a rigid and uniformly distributed rod canopy covering a sloping channel following the instantaneous collapse of a dam was examined using flume experiments. The measurements included space x and time t high resolution images of the water surface h(x, t) for multiple channel bed slopes So and water depths behind the dam Ho along with drag estimates provided by sequential load cells. Using these data, an analysis of the Saint-Venant equation (SVE) for the front speed was conducted using the diffusive wave approximation. An inferred Cd=0.4 from the h(x, t) data near the advancing front region, also confirmed by load cell measurements, is much reduced relative to its independently measured steady-uniform flow case. This finding suggests that drag reduction mechanisms associated with transients and flow disturbances are more likely to play a dominant role when compared to conventional sheltering or blocking effects on Cd examined in uniform flow. The increased air volume entrained into the advancing wave front region as determined from an inflow–outflow volume balance partly explains the Cd reduction from unity.

Mechanics↗
DOE OSTI2025

Photothermoelectric effect in cadmium arsenide thin films for unbiased, mid-infrared photodetection

Mid-infrared photodetectors that can operate at room temperature are of great interest for a wide range of applications. Here, we demonstrate unbiased, mid-infrared (10.4 μm) photodetection in epitaxial thin films of the three-dimensional Dirac semimetal cadmium arsenide (Cd 3 As 2 ), which are grown on a III–V heterostructure. We show that the photocurrent response of planar metal–Cd 3 As 2 –metal devices is consistent with the photothermoelectric effect, which is due to a temperature gradient that develops under asymmetric illumination of the device. We show that the photoresponsivity of Cd 3 As 2 channel devices is an order of magnitude greater than devices with a III–V semiconductor channel, attesting to the excellent thermoelectric properties of Cd 3 As 2 and promising efficient unbiased, room-temperature mid-infrared photodetection.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Analysis of native oxides grown on single-crystal CdTe and MgCdTe

Over the course of CdTe photovoltaics development, many refinements to the device stack have been made. One area of current interest is the back contact interface, where surface passivation is critical to prevent recombination at the interface. One candidate material for achieving strong passivation is TeO 2 . Using scanning transmission electron microscopy, we investigate native oxide formations on CdTe and Mg x Cd 1−x Te substrates to better understand the oxides' chemical composition and the interface they form with the material they are grown on. We find that substoichiometric TeO x forms as a native oxide on CdTe, and on Mg x Cd 1−x Te, we found a MgO native oxide. Some TeO x appeared atop the MgO layer, though it was not consistently present. As a result, the native oxides had preferential interface terminations, with Cd terminations at the CdTe/TeO x interface and Te terminations at the Mg x Cd 1−x Te/MgO interface.

14 SOLAR ENERGY↗
DOE OSTI2025

Optimization of simulated high-field side lower hybrid current drive coupling using machine learning predictions of scrape-off layer density

Lower hybrid current drive (LHCD) is a potential source of non-inductive off-axis current drive (CD) for tokamaks. Although LHCD has been successfully deployed on a number of tokamaks, it is highly sensitive to the scrape-off layer (SOL) conditions local to the LHCD launcher. Large gaps between the launcher and plasma core, SOL turbulence, or edge density perturbations due to edge-localized modes can hamper CD or cause large reflected power. These coupling issues in part motivated the installation of an LHCD launcher on the high-field side (HFS) of DIII-D. On the HFS, the SOL is less turbulent and more controllable compared to the low-field side. This quiescence may result in more predictable edge conditions and thus a more predictable CD. Here, in this work, HFS SOL reflectometry measurements are predicted from global plasma parameters using machine learning models. The SOL predictions coupled with the full-wave simulation of the LHCD launcher allow for the prediction of reflected power, directivity, and arcing risk before the discharge. Launcher performance is then optimized using multi-objective Bayesian optimization, finding the shot parameters that result in an optimal SOL density that maximizes CD while minimizing the risk of arcing. The predictions and optimizations of LHCD performance are then accelerated using a surrogate model of the full-wave LHCD simulation.

Bayesian optimization↗
DOE OSTI2025

Dependence of ion-cyclotron range of frequencies instabilities on species mix and fast-ion distribution: III. Novel sub-cyclotron modes

Dedicated DIII-D experiments studied instabilities above and below the ion cyclotron frequency by injecting thirteen different neutral beam populations into L-mode plasmas with different thermal compositions of H, D, and 3 He at five different values of toroidal field. Two companion papers describe the results of these experiments in detail. This paper focuses on data and analysis of two instabilities that occur at ${\sim}0.6$ of the deuterium and hydrogen cyclotron frequencies $f_\mathrm {cD}$ and $f_\mathrm {cH}$ in mixed hydrogen and deuterium plasmas. The modes below $f_\mathrm {cD}$ are often driven unstable by deuterium beams but are rarely destabilized by hydrogen beams. The modes below $f_\mathrm {CD}$ are reported here for the first time in a fusion plasma. These $\mathrm{sub-}f_\mathrm {cH}$ modes are only driven by deuterium beams but, unlike the $\mathrm{sub-}f_\mathrm {cD}$ modes, they are only unstable in plasmas with deuterium concentrations that are ${\lesssim}20\%$; they also have a smaller amplitude than the sub-deuterium modes. Addition of fully-ionized 3 He to the plasma has little effect on the sub-cyclotron deuterium modes but is stabilizing for the sub-cyclotron hydrogen modes. The modes are excited in the core and have toroidal mode numbers around 20. These trends are compared with calculations of the growth rate in a simplified model. The theory successfully predicts global Alfvén eigenmode instability with frequencies and mode numbers close to experimental values, the stronger amplitude of the sub-deuterium modes, and the species-mix dependence of the sub-hydrogen modes. Increased damping associated with the ion-ion hybrid, cutoff, and crossover frequencies plausibly accounts for the stabilization of the $\mathrm{sub-}f_\mathrm {cH}$ modes when 3 He is puffed. However, the relative stability of $\mathrm{sub-}f_\mathrm {cH}$ modes during hydrogen injection remains unexplained.

electromagnetic ion cyclotron instability↗
DOE OSTI2026

Lyapunov controlled counterdiabatic quantum optimization

We introduce a quantum algorithm that integrates counterdiabatic (CD) protocols with quantum Lyapunov control (QLC) to address combinatorial optimization problems. This approach offers versatility, allowing implementation as either a digital-analog or purely digital algorithm based on selected control strategies. By examining spin-glass Hamiltonians, we illustrate how the algorithm can explore alternative paths to enhance solution outcomes compared to conventional CD techniques. This method reduces dependence on extensive higher-order CD terms and on classical optimization techniques, making it more suitable for existing quantum computing platforms. The combination of digital compression via CD protocols and the adaptable nature of QLC methods positions this approach as a promising candidate for near-term quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

𝐷-meson semileptonic decays to pseudoscalars from four-flavor lattice QCD

We present lattice-QCD calculations of the hadronic form factors for the semileptonic decays D → πℓν, D → Kℓν, and D s → Kℓν. Our calculation uses the highly improved staggered quark (HISQ) action for all valence and sea quarks and includes N f = 2 + 1 + 1 MILC ensembles with lattice spacings ranging from a ≈ 0.12 fm down to 0.042 fm. At most lattice spacings, an ensemble with physical-mass light quarks is included. The HISQ action allows all the quarks to be treated with the same relativistic light-quark action, allowing for nonperturbative renormalization using partial conservation of the vector current. We combine our results with experimental measurements of the differential decay rates to determine |V cd | D → π = 0.2238(11) Expt (15) QCD (04) EW (02) SIB [22] QED and |V cs | D → K = 0.9589 (23) Expt (40) QCD (15) EW (05) SIB [95] QED . This result for |V cd | is the most precise to date, with a lattice-QCD error that is, for the first time for the semileptonic extraction, at the same level as the experimental error. Using recent measurements from BES III, we also give the first-ever determination of |V cd | D s → K = 0.258(15) Expt (01) QCD [03] QED from D s → Klν. Our results also furnish new Standard Model calculations of the lepton flavor universality ratios $R$$^{D → π}_{μ/e}$ = 0.98671(17) QCD [500] QED , $R$$^{D → π}_{μ/e}$ = 0.97606(16) QCD [500] QED , and $R$$^{D → π}_{μ/e}$ = 0.98099(10) QCD [500] QED , which are consistent within 2σ with experimental measurements. Our extractions of |V cd | and |V cs |, when combined with a value for |V cb |, provide the most precise test of second-row Cabibbo-Kobayashi-Maskawa unitarity, finding agreement with unitarity at the level of one standard deviation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Comparison of the Capacitances and Switching Losses of 1.2 kV Common-Source and Common- Drain Bidirectional Switch Topologies

Bidirectional, or four-quadrant switches (FQS) can be designed as back-to-back MOSFETs connected in common-drain (CD) or common-source (CS) topologies. CDFQS and CS-FQS assembled from discrete 1.2 kV commercially available SiC power MOSFETs were characterized to obtain capacitance and switching loss values. The CD-FQS exhibited a 1.17x larger turn-on loss compared to the CS-FQS, while the CS-FQS exhibited a 1.52x larger turn-off loss compared to the CD-FQS. The CS-FQS exhibited a lower input capacitance, while the CD-FQS exhibited a lower output and reverse transfer capacitance.

Silicon Carbide, Bidirectional Switch, Switching P↗
NASA NTRS1972

NiCd battery electrodes, C-150

Electrodes for a nongassing negative limited nickel-cadmium cell are discussed. The key element is the development of cadmium electrodes with high hydrogen overvoltage. For this, the following electrode structures were manufactured and their physical and electrochemical characteristics were evaluated: (1) silver-sinter-based Cd electrodes, (2) Teflon-bonded Cd electrodes, (3) electrodeposited Cd sponge, and (4) Cd-sinter structures.

Holleck, G.↗
NASA NTRS1972

NiCd battery electrodes

The objective of this research program was to develop and evaluate electrodes for a negative limited nickel-cadmium cell and to prove its feasibility. The program consisted of three phases: (1) the development of cadmium electrodes with high hydrogen overvoltage characteristics, (2) the testing of positive and negative plates, and (3) the fabrication and testing of complete negative limited NiCd cells. The following electrode structures were manufactured and their physical and electrochemical characteristics were evaluated: (1) silver sinter-based Cd electrodes, (2) Teflon-bonded Cd electrodes, (3) electrodeposited Cd sponge, and (4) Cd-sinter structures. All cadmium electrode structures showed a sharp increase in potential at the end of charge, with the advent of hydrogen evolution occurring at approximately -1.3 V versus Hg/HgO. The hydrogen advent potentials on pure cadmium structures were 50 to 70 mV more cathodic than those of their silver-containing counterparts.

Holleck, G.↗
NASA NTRS1977

Coordinated NASA nickel-cadmium battery technology program

This paper describes the NASA nickel-cadmium (Ni-Cd) battery technology program which is being coordinated by JPL to provide NASA and other users with lighter and/or longer-lived Ni-Cd cells for low-earth-orbit, geosynchronous-orbit, and planetary spacecraft missions in the 1980s. The goal is to double the energy density and/or life of the system. Failure modes and mechanisms are differentiated and discussed to point out the critical design variables which affect Ni-Cd cell life. Cell component weights are listed, approaches for reducing weight are discussed, and program tasks and schedules are presented. The nine major tasks being worked on by various organizations are described. Progress has been made in weight reduction, understanding of life reliability mechanisms, and development of a process for manufacturing more stable electrodes. An accelerated and predictive life test program is approximately 30% complete. It appears feasible to double the life and/or usable energy density of the Ni-Cd cell.

Bogner, R. S.↗
NASA NTRS1983

Role of corollary discharge in space constancy

Visual fixation can be maintained in spite of finger pressure on the monocularly viewing eye. The amount of extraocular muscle effort required to counter the eyepress is measured as the secondary deviation of the occluded fellow eye. Using this method, without drugs or neurological lesions, it is shown that corollary discharge (CD) governs perception of position of a luminous point in darkness, that is, an unstructured visual field. CD also controls visuomotor coordination measured with open-loop pointing and the matching of visual and auditory direction in light and in darkness. The incorrectly biased CD is superseded by visual position perception in normal structured environments, a phenomenon called visual capture of Matin. When the structured visual field is extinguished, leaving only a luminous point, gradual release from visual capture and return to the biased CD direction follows after a delay of about 5 sec.

Stark, L.↗
NASA NTRS1987

Photoemission studies of core level shifts in HgCdTe, CdMnTe, and HgZnTe

The results of photoemission studies of core level shifts in the Hg(1-x)Cd(x)Te, Cd(1-x)Mn(x)Te, and Hg(1-x)Zn(x)Te alloys are discussed. In Hg(0.7)Cd(0.3)Te, the Hg 5d level is found to shift to lower binding energy by 0.1 eV, and the Cd 4d level to shift to higher binding energy by 0.25 eV upon alloying (relative to their binaries). The Born-Haber cycle is used to determine core level binding energies relative to the valence-band maximum in the context of tight-binding theory, and calculated core level shifts upon alloying in HgCdTe are shown to be too small to account for the observed values. A natural valence-band offset between HgTe and CdTe of 0.35 eV is found.

Shih, C. K.↗
NASA NTRS1990

The kinematics of Abell clusters

Velocity histograms, galaxy positions, and velocity dispersions are presented for 69 nearby Abell clusters. The shape of the cumulative distribution for R = 1 or more clusters does not match the predictions of standard CDM models for any biasing parameter b. The only models consistent with the median and maximum dispersions of the sample are those of b about 1.6-2.0 and in which clusters are identified in three dimensions. Velocity dispersions of high-redshift systems appear fundamentally different from those of nearby clusters. The median dispersion of the subset of 25 cD clusters is similar to that of non-cD systems. A substantial fraction of the cD galaxies have velocities significantly different from the mean of their parent clusters. Three of these have 4 s or more measured redshifts. These last two results suggest that the formation of cD galaxies is dominated by the local, rather than global, cluster environment.

Zabludoff, Ann I.↗