Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Unity”

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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Structural correlations tailor conductive properties in polymerized ionic liquids

Polymerized ionic liquids (PolyILs) are enticing materials for applications in electrochemical devices spanning from fuel cells to capacitors and batteries. In principle, PolyILs have a competitive advantage over traditional electrolytes in being single ion conductors and thus enabling a transference number close to unity. Despite this perceived advantage, surprisingly low room temperature ionic conductivities measured in the lab raise an important fundamental question: how does the molecular structure mediate conductivity? Here, wide-angle X-ray scattering (WAXS), vibrational sum frequency generation (vSFG), and density functional theory (DFT) calculations were used to study the bulk and interfacial structure of PolyILs, while broad band dielectric spectroscopy (BDS) was used to probe corresponding dynamics and conductive properties for a series of the PolyIL samples with tunable chemistries and structures. Our results reveal that the size of the mobile anions has a tremendous impact on chain packing in PolyILs that wasn’t addressed previously. Larger mobile ions tend to create a well-packed structure, while smaller ions frustrate chain packing. The magnitude of these changes and level of structural heterogeneity are shown to depend on the chemical functionality and flexibility of studied PolyILs. Moreover, these experimental and computational results provide new insight into the correlation between conductivity and structure in PolyILs, suggesting that structural heterogeneity helps to reduce the activation energy for ionic conductivity in the glassy state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

UV photodissociation dynamics of the acetone oxide Criegee intermediate: experiment and theory

Here, the photodissociation dynamics of the dimethyl-substituted acetone oxide Criegee intermediate [(CH 3 ) 2 COO] is characterized following electronic excitation to the bright 1 ππ* state, which leads to O ( 1 D) + acetone [(CH 3 ) 2 CO, S 0 ] products. The UV action spectrum of (CH 3 ) 2 COO recorded with O ( 1 D) detection under jet-cooled conditions is broad, unstructured, and essentially unchanged from the corresponding electronic absorption spectrum obtained using a UV-induced depletion method. This indicates that UV excitation of (CH 3 ) 2 COO leads predominantly to the O ( 1 D) product channel. A higher energy O ( 3 P) + (CH 3 ) 2 CO (T 1 ) product channel is not observed, although it is energetically accessible. In addition, complementary MS-CASPT2 trajectory surface-hopping (TSH) simulations indicate minimal population leading to the O ( 3 P) channel and non-unity overall probability for dissociation (within 100 fs). Velocity map imaging of the O ( 1 D) products is utilized to reveal the total kinetic energy release (TKER) distribution upon photodissociation of (CH 3 ) 2 COO at various UV excitation energies. Simulation of the TKER distributions is performed using a hybrid model that combines an impulsive model with a statistical component, the latter reflecting the longer-lived (>100 fs) trajectories identified in the TSH calculations. The impulsive model accounts for vibrational activation of (CH 3 ) 2 CO arising from geometrical changes between the Criegee intermediate and the carbonyl product, indicating the importance of CO stretch, CCO bend, and CC stretch along with activation of hindered rotation and rock of the methyl groups in the (CH 3 ) 2 CO product. Detailed comparison is also made with the TKER distribution arising from photodissociation dynamics of CH 2 OO upon UV excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Theoretical assessments of Pd–PdO phase transformation and its impacts on H 2 O 2 synthesis and decomposition pathways

The direct synthesis of H 2 O 2 from O 2 and H 2 provides a green pathway to produce H 2 O 2 , a popular industrial oxidant. Here, in this study, we theoretically investigate the effects of Pd oxidation states, coordination environments, and particle sizes on primary H 2 O 2 selectivities, assessed by calculating the ratio of rate constants for the formation of H 2 O 2 (via OOH* reduction; k O–H ) and the decomposition of OOH* (via O–O cleavage; k O–O ). For Pd metals, the k O–H /k O–O ratio decreased from 10 -4 for Pd(111) to 10 -10 for the Pd 13 cluster at 300 K, indicating poorer H 2 O 2 selectivity as Pd particle size decreases and low primary selectivities for H 2 O 2 overall. As the oxygen chemical potential increases and metals form surface and bulk oxides, the perturbation of Pd–Pd ensemble sites by lattice O atoms results in selectivities that become dramatically higher than unity. For instance, at 300 K, the k O–H /k O–O ratio increases significantly from 10 -4 to 10 9 to 10 16 as Pd(111) oxidizes to Pd 5 O 4 /Pd(111) and to PdO(100), respectively. In contrast, such selectivity enhancements are not observed for surface and bulk oxides that persistently contain rows of more metallic, undercoordinated Pd–Pd ensemble sites, such as PdO(101)/Pd(100) and PdO(101). These Pd–Pd ensembles are also absent when smaller Pd nanoparticles fully oxidize, indicating that smaller PdO clusters can be more selective for H 2 O 2 synthesis. These trends for primary H 2 O 2 selectivities were found to inversely correlate with trends for H 2 O 2 decomposition rates via O–O bond cleavage, demonstrating that catalysts with high primary H 2 O 2 selectivity can also hinder H 2 O 2 decomposition. Ab initio thermodynamic calculations are used to estimate the thermodynamically favored phase among Pd, PdO/Pd and PdO in O 2 , H 2 O 2 /H 2 O, and O 2 /H 2 environments. These results are combined to show that smaller Pd nanoparticles are more prone to be oxidized at lower oxygen chemical potentials, upon which they become more selective than larger Pd particles for H 2 O 2 synthesis.

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

Photosynthetic biohybrid systems for solar fuels catalysis

Photosynthetic reaction center (RC) proteins are finely tuned molecular systems optimized for solar energy conversion. RCs effectively capture and convert sunlight with near unity quantum efficiency utilizing light-induced directional electron transfer through a series of molecular cofactors embedded within the protein core to generate a long-lived charge separated state with a useable electrochemical potential. Of current interest are new strategies that couple RC chemistry to the direct synthesis of energy-rich compounds. This Feature Article highlights recent work from our lab on RC and RC-inspired hybrid systems that capture the Sun's energy and convert it to chemical energy in the form of H2, a carbon-neutral energy source derived from water. Further, biohybrids made from the Photosystem I (PSI) RC are among the best photocatalytic H2-producing protein hybrids to date. Targeted self-assembly strategies that couple abiotic catalysts to PSI translate to catalyst incorporation at intrinsic PSI sites within thylakoid membranes to achieve complete solar water-splitting systems. RC-inspired biohybrids interface synthetic photosensitizers and molecular catalysts with small proteins to create photocatalytic systems and enable the spectroscopic discernment of the structural features and electron transfer processes that underpin solar-driven proton reduction. In total, these studies showcase the incredible scientific opportunities photosynthetic biohybrid research provides for harnessing the optimal qualities of both artificial and natural photosynthetic systems and developing materials that capture, convert, and store solar energy as a fuel.

14 SOLAR ENERGY↗
DOE OSTI2024

Insights into water extraction and aggregation mechanisms of malonamide-alkane mixtures

Structure at the nanoscale in the organic phase of liquid–liquid extraction systems is often tied to separation performance. However, the weak interactions that drive extractant assembly lead to poorly defined structures that are challenging to identify. Here, in this work, we investigate the mechanism of water extraction for a malonamide extractant commonly applied to f-element separations. We measure extractant concentration fluctuations in the organic phase with small angle X-ray scattering (SAXS) before and after contact with water at fine increments of extractant concentration, finding no qualitative changes upon water uptake that might suggest significant nanoscopic reorganization of the solution. The critical composition for maximum fluctuation intensity is consistent with small water–extractant adducts. The extractant concentration dependence of water extraction is consistent with a power law close to unity in the low concentration regime, suggesting the formation of 1 : 1 water–extractant adducts as the primary extraction mechanism at low concentration. At higher extractant concentrations, the power law slope increases slightly, which we find is consistent with activity effects modeled using Flory–Huggins theory without introduction of additional extractant–water species. Molecular dynamics simulations are consistent with these findings. The decrease in interfacial tension with increasing extractant concentration shows a narrow plateau region, but it is not correlated with any change in fluctuation or water extraction trends, further suggesting no supramolecular organization such as reverse micellization. This study suggests that water extraction in this system is particularly simple: it relies on a single mechanism at all extractant concentrations, and only slightly enhances the concentration fluctuations characteristic of the dry binary extractant/diluent mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Autonomous plug and play electric vehicle charging scenarios including reactive power provision: a probabilistic load flow analysis

Electric vehicle (EV) charging can have various impacts on low‐voltage distribution systems, along with increasing the uncertainty of network load levels. One method for capturing the statistical uncertainty is probabilistic load flow (PLF). A primary concern of such an approach is determining the correlation between the input variables. Since data are limited, a 1 min resolution bottom‐up time‐variant load model, capturing the changing voltage dependencies of the load, is used for modelling household electrical demand to provide pseudo‐meter data for the three‐phase PLF analysis of a residential distribution network. The correlation between the household and EV charging loads are implicitly taken into account by modelling the EV plug‐in and departure times with the corresponding occupancy model. Two autonomous plug‐and‐play charging scenarios are compared with a standard charging arrangement at both unity and 0.95 capacitive power factors. Four different PLF input correlation scenarios, varying from fully correlated to fully independent, are considered. The proposed charging scenarios and reactive power provision reduce the likelihood of system voltage violations introduced by EVs. The PLF results are verified against those from the initial time‐series analysis providing valuable insight into the uncertainty introduced by EVs and the correlation between household and EV loads.

Melhorn, Alexander C.↗
DOE OSTI2016

Planck 2015 results: XI. CMB power spectra, likelihoods, and robustness of parameters

This study presents the Planck 2015 likelihoods, statistical descriptions of the 2-point correlationfunctions of the cosmic microwave background (CMB) temperature and polarization fluctuations that account for relevant uncertainties, both instrumental and astrophysical in nature. They are based on the same hybrid approach used for the previous release, i.e., a pixel-based likelihood at low multipoles (ℓ< 30) and a Gaussian approximation to the distribution of cross-power spectra at higher multipoles. The main improvements are the use of more and better processed data and of Planck polarization information, along with more detailed models of foregrounds and instrumental uncertainties. The increased redundancy brought by more than doubling the amount of data analysed enables further consistency checks and enhanced immunity to systematic effects. It also improves the constraining power of Planck, in particular with regard to small-scale foreground properties. Progress in the modelling of foreground emission enables the retention of a larger fraction of the sky to determine the properties of the CMB, which also contributes to the enhanced precision of the spectra. Improvements in data processing and instrumental modelling further reduce uncertainties. Extensive tests establish the robustness and accuracy of the likelihood results, from temperature alone, from polarization alone, and from their combination. For temperature, we also perform a full likelihood analysis of realistic end-to-end simulations of the instrumental response to the sky, which were fed into the actual data processing pipeline; this does not reveal biases from residual low-level instrumental systematics. Even with the increase in precision and robustness, the ΛCDM cosmological model continues to offer a very good fit to the Planck data. The slope of the primordial scalar fluctuations, n s , is confirmed smaller than unity at more than 5σ from Planck alone. We further validate the robustness of the likelihood results against specific extensions to the baseline cosmology, which are particularly sensitive to data at high multipoles. For instance, the effective number of neutrino species remains compatible with the canonical value of 3.046. For this first detailed analysis of Planck polarization spectra, we concentrate at high multipoles on the E modes, leaving the analysis of the weaker B modes to future work. At low multipoles we use temperature maps at all Planck frequencies along with a subset of polarization data. These data take advantage of Planck’s wide frequency coverage to improve the separation of CMB and foreground emission. Within the baseline ΛCDM cosmology this requires τ = 0.078 ± 0.019 for the reionization optical depth, which is significantly lower than estimates without the use of high-frequency data for explicit monitoring of dust emission. At high multipoles we detect residual systematic errors in E polarization, typically at the μK 2 level; we therefore choose to retain temperature information alone for high multipoles as the recommended baseline, in particular for testing non-minimal models. Finally and nevertheless, the high-multipole polarization spectra from Planck are already good enough to enable a separate high-precision determination of the parameters of the ΛCDM model, showing consistency with those established independently from temperature information alone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Planck intermediate results: L. Evidence of spatial variation of the polarized thermal dust spectral energy distribution and implications for CMB B -mode analysis

The characterization of the Galactic foregrounds has been shown to be the main obstacle in thechallenging quest to detect primordial B-modes in the polarized microwave sky. In this paper, we make use of the Planck-HFI 2015 data release at high frequencies to place new constraints on the properties of the polarized thermal dust emission at high Galactic latitudes. Here, we specifically study the spatial variability of the dust polarized spectral energy distribution (SED), and its potential impact on the determination of the tensor-to-scalar ratio, r. We use the correlation ratio of the C BB ℓ angular power spectra between the 217 and 353 GHz channels as a tracer of these potential variations, computed on different high Galactic latitude regions, ranging from 80% to 20% of the sky. The new insight from Planck data is a departure of the correlation ratio from unity that cannot be attributed to a spurious decorrelation due to the cosmic microwave background, instrumental noise, or instrumental systematics. The effect is marginally detected on each region, but the statistical combination of all the regions gives more than 99% confidence for this variation in polarized dust properties. In addition, we show that the decorrelation increases when there is a decrease in the mean column density of the region of the sky being considered, and we propose a simple power-law empirical model for this dependence, which matches what is seen in the Planck data. We explore the effect that this measured decorrelation has on simulations of the BICEP2-Keck Array/Planck analysis and show that the 2015 constraints from these data still allow a decorrelation between the dust at 150 and 353 GHz that is compatible with our measured value. In conclusion, using simplified models, we show that either spatial variation of the dust SED or of the dust polarization angle are able to produce decorrelations between 217 and 353 GHz data similar to the values we observe in the data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The coexistence of the streaming instability and the vertical shear instability in protoplanetary disks

The streaming instability is a promising mechanism to induce the formation of planetesimals. Nonetheless, this process has been found in previous studies to require either a dust-to-gas surface density ratio or a dust size that is enhanced compared to observed values. Employing two-dimensional global simulations of protoplanetary disks, we show that the vertical shear instability and the streaming instability in concert can cause dust concentration that is sufficient for planetesimal formation for lower surface density ratios and smaller dust sizes than the streaming instability in isolation, and in particular under conditions that are consistent with observational constraints. This is because dust overdensities forming in pressure bumps induced by the vertical shear instability act as seeds for the streaming instability and are enhanced by it. While our two-dimensional model does not include self-gravity, we find that strong dust clumping and the formation (and dissolution) of gravitationally unstable overdensities can be robustly inferred from the evolution of the maximum or the mean dust-to-gas volume density ratio. The vertical shear instability puffs up the dust layer to an average mid-plane dust-to-gas density ratio that is significantly below unity. We therefore find that reaching a mid-plane density ratio of one is not necessary to trigger planetesimal formation via the streaming instability when it acts in unison with the vertical shear instability.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Cepheids with giant companions: II. Spectroscopic confirmation of nine new double-lined binary systems composed of two Cepheids

Context.Binary Cepheids with giant companions are crucial for studying the physical properties of Cepheid variables, in particular providing the best means to measure their masses. Systems composed of two Cepheids are even more important, but to date, only one such system has been identified, in the Large Magellanic Cloud (LMC). Aims.Our current aim is to increase the number of these systems known tenfold and to provide their basic characteristics. The final goal is to obtain the physical properties of the component Cepheids, including their masses and radii, and to learn about their evolution in the multiple systems, also revealing their origin. Methods.We started a spectroscopic monitoring campaign of nine unresolved pairs of Cepheids from the OGLE catalog to check if they are gravitationally bound. Two of these so-called double Cepheids are located in the LMC, five are in the Small Magellanic Cloud (SMC), and two are in the Milky Way (MW). Results.We report a spectroscopic detection of the binarity of all nine of these double Cepheids with orbital periods ranging from 2 to 18 years. This increases the number of known binary double (BIND) Cepheids from 1 to 10 and triples the number of all confirmed double-lined binary (SB2) Cepheids. For five BIND Cepheids, the disentangled pulsational light curves of the components show anti-correlated phase shifts due to orbital motion. We show the first empirical evidence that typical period–luminosity relations (PLRs) are rather binary Cepheid PLRs, as they include light of the companion. Conclusions.The statistics of pulsation period ratios of BIND Cepheids do not agree with those expected for pairs of Cepheids of the same age. These ratios together with the determined mass ratios far from unity suggest a merger origin of at least one component for about half of the systems. The SMC and MW objects are the first found in SB2 systems composed of giants in their host galaxies. The Milky Way BIND Cepheids are also the closest such systems, being located at about 11 and 26 kpc.

Astronomy & Astrophysics↗
DOE OSTI2016

Beauty vector meson decay constants from QCD sum rules

We present the outcomes of a very recent investigation of the decay constants of nonstrange and strange heavy-light beauty vector mesons, with special emphasis on the ratio of any such decay constant to the decay constant of the corresponding pseudoscalar meson, by means of Borel-transformed QCD sum rules. Our results suggest that both these ratios are below unity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Study on vertical distribution of radionuclides ({sup 40}K, Th and U) in soil collected from Manjung district

The accumulation of radionuclides in soil is a greatest concerns due to their toxicity. This study investigated the vertical distribution of radionuclides and radiological assessment in a soil profile were collected in three different directions [North (N), North-East (NE) and South-East (SE)] within 40 km from Manjung district. All profile samples were collected down to 45cm at 7.5cm interval using hand auger. Soil density and radionuclides ({sup 40}K, Th and U) concentrations were determined by gravimetric method and Energy Dispersive X-Ray Fluorescence (EDXRF) technique, respectively. The radionuclides concentrations was in decreasing order of {sup 40}K > Th > U. Soil quality assessment was carried out using Enrichment Factor (EF), Pollution Index (PI) and Geoaccumulation Index (I {sub geo}) where all radionuclides show significant enrichment (5 < EF < 20), PI classified as middle pollution classes and 0 < Igeo < 1, indicating moderately polluted, respectively. From the concentration of radionuclides, the radiological risk was calculated and the present result show external hazard index (H{sub ex}) is below than unity indicate low radiological risk.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

The preparation of states in quantum mechanics

The important problem of how to prepare a quantum mechanical system, S, in a specific initial state of interest—e.g., for the purposes of some experiment—is addressed. Three distinct methods of state preparation are described. One of these methods has the attractive feature that it enables one to prepare S in a preassigned initial state with certainty, i.e., the probability of success in preparing S in a given state is unity. This method relies on coupling S to an open quantum-mechanical environment, E, in such a way that the dynamics of S∨E pulls the state of S towards an “attractor,” which is the desired initial state of S. This method is analyzed in detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

View factor modeling of sputter-deposition on micron-scale-architectured surfaces exposed to plasma

The sputter-deposition on surfaces exposed to plasma plays an important role in the erosion behavior and overall performance of a wide range of plasma devices. Plasma models in the low density, low energy plasma regime typically neglect micron-scale surface feature effects on the net sputter yield and erosion rate. The model discussed in this paper captures such surface architecture effects via a computationally efficient view factor model. The model compares well with experimental measurements of argon ion sputter yield from a nickel surface with a triangle wave geometry with peak heights in the hundreds of microns range. Further analysis with the model shows that increasing the surface pitch angle beyond about 45° can lead to significant decreases in the normalized net sputter yield for all simulated ion incident energies (i.e., 75, 100, 200, and 400 eV) for both smooth and roughened surfaces. At higher incident energies, smooth triangular surfaces exhibit a nonmonotonic trend in the normalized net sputter yield with surface pitch angle with a maximum yield above unity over a range of intermediate angles. The resulting increased erosion rate occurs because increased sputter yield due to the local ion incidence angle outweighs increased deposition due to the sputterant angular distribution. The model also compares well with experimentally observed radial expansion of protuberances (measuring tens of microns) in a nano-rod field exposed to an argon beam. The model captures the coalescence of sputterants at the protuberance sites and accurately illustrates the structure's expansion due to deposition from surrounding sputtering surfaces; these capabilities will be used for future studies into more complex surface architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Evaporative cooling of microscopic water droplets in vacuo : Molecular dynamics simulations and kinetic gas theory

In the present study, we investigate the process of evaporative cooling of nanometer-sized droplets in vacuum using molecular dynamics simulations with the TIP4P/2005 water model. The results are compared to the temperature evolution calculated from the Knudsen theory of evaporation which is derived from kinetic gas theory. The calculated and simulation results are found to be in very good agreement for an evaporation coefficient equal to unity. Lastly, our results are of interest to experiments utilizing droplet dispensers as well as to cloud micro-physics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Shock formation induced by poloidal flow and its effects on the edge stability in tokamaks

In the high confinement mode of tokamaks, magnitude of the radial electric field increases at the edge. Thus, the poloidal flow inside the transport barrier can be sonic when the edge pressure gradient is not steep enough to make the poloidal flow subsonic. When the poloidal Mach number is close to unity, a shock appears in the low field side and causes a large density perturbation. In this study, we describe a shock induced by the sonic poloidal plasma flow. Then, an entropy production across the shock is calculated. Finally, we introduce a simple model for Type III edge localized modes using the poloidal density variation driven by the sonic poloidal flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Near infrared emission of TbAG:Ce{sup 3+},Yb{sup 3+} phosphor for solar cell applications

Luminescent materials doped with rare earth ions are used for many devices such as optical amplifiers in telecommunication, phosphors for white light emitting diodes (LEDs), displays, and so on. Recently, they also have attracted a great interest for photovoltaic applications to improve solar cell efficiency by modifying solar spectrum. Crystal silicon (c-Si) solar cells most effectively convert photons of energy close to the semiconductor band gap. The mis-match between the incident solar spectrum and the spectral response of solar cells is one of the main reasons to limit the cell efficiency. The efficiency limit of the c-Si has been estimated to be 29% by Shockley and Queisser. However, this limit is estimated to be improved up to 38.4% by modifying the solar spectrum by a quantum cutting (down converting) phosphor which converts one photon of high energy into two photons of lower energy. The phenomenon such as the quantum cutting or the down conversion of rare earth ions have been investigated since Dexter reported the possibility of a luminescent quantum yield greater than unity in 1957. In the past, the quantum cutting from a vacuum ultraviolet photon to visible photons for Pr{sup 3+}, Gd{sup 3+},Gd{sup 3+}–Eu{sup 3+}, and Er{sup 3+}–Tb{sup 3+} had been studied. Recently, a new quantum cutting phenomenon from visible photon shorter than 500 nm to two infrared photons for Tb{sup 3+}–Yb{sup 3+}, Pr{sup 3+}–Yb{sup 3+}, and Tm{sup 3+}–Yb{sup 3+} has been reported. The Yb{sup 3+} ion is suitable as an acceptor and emitter because luminescent quantum efficiency of Yb{sup 3+} is close to 100% and the energy of the only excited level of Yb{sup 3+} (1.2 eV) is roughly in accordance with the band gap of Si (1.1 eV). In addition, the Ce{sup 3+}-doped Tb{sub 3}Al{sub 5}O{sub 12} (TbAG), used as a phosphor for white LED, has broad absorption bands in the range of 300–500 nm due to strong ligand field and high luminescent quantum efficiency. Therefore, the Ce{sup 3+} ions in the TbAG can be suitable as an excellent sensitizing donor for down conversion materials of Si solar cells. In this paper, Ce{sup 3+} –Yb{sup 3+}-codoped TbAG ceramics were prepared and the energy transfer (ET) including down conversion mechanism in Ce{sup 3+} – Yb{sup 3+} codoped TbAG ceramics have been evaluated by the photoluminescence (PL), the photoluminescence excitation (PLE), the lifetime and the quantum yield (QY), which was measured directly using an integrating sphere.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Extremely small bandgaps, engineered by controlled multi-scale ordering in InAsSb

The relationship between the effective bandgap and the crystalline structure in ordered InAsSb material has been studied. Modulation of the As/Sb ratio was induced along the growth direction during molecular beam epitaxy, producing a strained layer superlattice. To enable the use of concentration ratios near unity in both layers in the period, the structures were grown with negligible net strain on a virtual substrate with a lattice constant considerably larger than that of GaSb. The bandgap line-up of InAsSb layers with different compositions is such that a type II superlattice is formed, which exhibits smaller bandgaps than either of the two constituents. It can also be smaller than the possible minimum direct-bandgap of the alloy. From observations of CuPt ordering in bulk layers with small amounts of strain of both signs, we postulate that strain is the main driving force for atomic ordering in InAsSb. Because the modulated structures exhibit small but opposing amounts of strain, both layers in the period exhibit ordering at the atomic scale throughout the structure. Since the strain can be controlled, the ordering can be controlled and sustained for arbitrary thick layers, unlike the situation in uniform bulk layers where the residual strain eventually leads to dislocation formation. This offers a unique way of using ordering at two different scales to engineer the band-structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗