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At least 1,693 records · Page 94

Understanding GPU Power. A Survey of Profiling, Modeling, and Simulation Methods

Modern graphics processing units (GPUs) have complex architectures that admit exceptional performance and energy efficiency for high throughput applications.Though GPUs consume large amounts of power, their use for high throughput applications facilitate state-of-the-art energy efficiency and performance. Consequently, continued development relies on understanding their power consumption. Our work is a survey of GPU power modeling and profiling methods with increased detail on noteworthy efforts. Moreover, as direct measurement of GPU power is necessary for model evaluation and parameter initiation, internal and external power sensors are discussed. Hardware counters, which are low-level tallies of hardware events, share strong correlation to power use and performance. Statistical correlation between power and performance counters has yielded worthwhile GPU power models, yet the complexity inherent to GPU architectures presents new hurdles for power modeling. Developments and challenges of counter-based GPU power modeling is discussed. Often building on the counter-based models, research efforts for GPU power simulation, which make power predictions from input code and hardware knowledge, provide opportunities for optimization in programming or architectural design. Noteworthy strides in power simulations for GPUs are included along with their performance or functional simulator counterparts when appropriate. Lastly, possible directions for future research are discussed.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

pH-dependent electron transfer reaction and direct bioelectrocatalysis of the quinohemoprotein pyranose dehydrogenase

A pyranose dehydrogenase from Coprinopsis cinerea (CcPDH) is an extracellular quinohemoeprotein, which consists a b-type cytochrome domain, a pyrroloquinoline-quinone (PQQ) domain, and a family 1-type carbohydrate-binding module. The electron transfer reaction of CcPDH was studied using some electron acceptors and a carbon electrode at various pH levels. Phenazine methosulfate (PMS) reacted directly at the PQQ domain, whereas cytochrome c (cyt c) reacted via the cytochrome domain of intact CcPDH. Thus, electrons are transferred from reduced PQQ in the catalytic domain of CcPDH to heme b in the N-terminal cytochrome domain, which acts as a built-in mediator and transfers electron to a heterogenous electron transfer protein. The optimal pH values of the PMS reduction (pH 6.5) and the cyt c reduction (pH 8.5) differ. The catalytic currents for the oxidation of L-fucose were observed within a range of pH 4.5 to 11. Bioelectrocatalysis of CcPDH based on direct electron transfer demonstrated that the pH profile of the biocatalytic current was similar to the reduction activity of cyt c characters. - Highlights: • pH dependencies of activity were different for the reduction of cyt c and DCPIP. • DET-based bioelectrocatalysis of CcPDH was observed. • The similar pH-dependent profile was found with cyt c and electrode. • The present results suggested that IET reaction of CcPDH shows pH dependence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multiplexed characterization of rationally designed promoter architectures deconstructs combinatorial logic for IPTG-inducible systems

Abstract A crucial step towards engineering biological systems is the ability to precisely tune the genetic response to environmental stimuli. In the case of Escherichia coli inducible promoters, our incomplete understanding of the relationship between sequence composition and gene expression hinders our ability to predictably control transcriptional responses. Here, we profile the expression dynamics of 8269 rationally designed, IPTG-inducible promoters that collectively explore the individual and combinatorial effects of RNA polymerase and LacI repressor binding site strengths. We then fit a statistical mechanics model to measured expression that accurately models gene expression and reveals properties of theoretically optimal inducible promoters. Furthermore, we characterize three alternative promoter architectures and show that repositioning binding sites within promoters influences the types of combinatorial effects observed between promoter elements. In total, this approach enables us to deconstruct relationships between inducible promoter elements and discover practical insights for engineering inducible promoters with desirable characteristics.

59 BASIC BIOLOGICAL SCIENCES↗

Synchrotron emission from dark matter in galactic subhalos. A look into the Smith cloud

One of the key predictions of the ''WIMP'' paradigm for Dark Matter (DM) is that DM particles can annihilate into charged particles. These annihilations will proceed in e.g. Galactic subhalos such as dwarf Galaxies or, as recently pointed out, high velocity clouds such as the ''Smith Cloud''. In this note, we focus on the radio emission associated with DM annihilations into electrons and positrons occurring in the Smith Cloud. The phenomenology of this emission is discussed in quite some detail. We argue that the uncertainties in the propagation can be captured by the typical diffusion-loss length parameter (Syrovatskii variable) but that the angle-integrated radio fluxes are independent of the propagation. We conclude that if the Smith Cloud is indeed dominated by DM, radio signals from DM annihilation stand out amongst other messengers. Furthermore, low frequencies such as the ones observed by e.g. the Low Frequency Array (LOFAR) and the next-generation Square Kilometre Array (SKA) are optimal for searches for DM in the Smith Cloud. As a practical application, we set conservative constraints on dark matter annihilation cross section using data of continuum radio emission from the Galaxy at 22 MHz and at 1.4 GHz. Stronger constraints could be reached by background subtraction, exploiting the profile and frequency dependence of the putative DM signal. We set stronger but tentative limits using the median noise in brightness temperature from the Green Bank Telescope and the LOFAR sensitivities.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum Noise Spectroscopy of Dynamical Critical Phenomena

The transition between distinct phases of matter is characterized by the nature of fluctuations near the critical point. We demonstrate that noise spectroscopy can not only diagnose the presence of a phase transition, but can also determine fundamental properties of its criticality. In particular, by analyzing a scaling collapse of the decoherence profile, one can directly extract the critical exponents of the transition and identify its universality class. Our approach naturally captures the presence of conservation laws and distinguishes between classical and quantum phase transitions. In the context of quantum magnetism, our proposal complements existing techniques and provides a novel toolset optimized for interrogating two-dimensional magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

FiXR : a framework to reconstruct fiber cross-sections from X-ray fiber diffraction experiments

Ab initio reconstruction methods have revolutionized the capabilities of small-angle X-ray scattering (SAXS), allowing the data-driven discovery of previously unknown molecular conformations, exploiting optimization heuristics and assumptions behind the composition of globular molecules. While these methods have been successful for the analysis of small particles, their impact on fibrillar assemblies has been more limited. The micrometre-range size of these assemblies and the complex interaction of their periodicities in their scattering profiles indicate that the discovery of fibril structures from SAXS measurements requires novel approaches beyond extending existing tools for molecular discovery. In this work, it is proposed to use SAXS measurements, together with diffraction theory, to infer the electron distribution of the average cross-section of a fiber. This cross-section is modeled as a discrete electron density with continuous support, allowing representations beyond binary distributions. Additional constraints, such as non-negativity or smoothness/connectedness, can also be added to the framework. The proposed approach is tested using simulated SAXS data from amyloid β fibril models and using measured data of Tobacco mosaic virus from SAXS experiments, recovering the geometry and density of the cross-sections in all cases. The approach is further tested by analyzing SAXS data from different amyloid β fibril assemblies, with results that are in agreement with previously proposed models from cryo-EM measurements. The limitations of the proposed method, together with an analysis of the robustness of the method and the combination with different experimental sources, are also discussed.

Biochemistry & Molecular Biology↗

SU-C-201-04: Noise and Temporal Resolution in a Near Real-Time 3D Dosimeter

Purpose: To characterize the performance of a real-time three-dimensional scintillation dosimeter in terms of signal-to-noise ratio (SNR) and temporal resolution of 3D dose measurements. This study quantifies its efficiency in measuring low dose levels characteristic of EBRT dynamic treatments, and in reproducing field profiles for varying multileaf collimator (MLC) speeds. Methods: The dosimeter prototype uses a plenoptic camera to acquire continuous images of the light field emitted by a 10×10×10 cm{sup 3} plastic scintillator. Using EPID acquisitions, ray tracing-based iterative tomographic algorithms allow millimeter-sized reconstruction of relative 3D dose distributions. Measurements were taken at 6MV, 400 MU/min with the scintillator centered at the isocenter, first receiving doses from 1.4 to 30.6 cGy. Dynamic measurements were then performed by closing half of the MLCs at speeds of 0.67 to 2.5 cm/s, at 0° and 90° collimator angles. A reference static half-field was obtained for measured profile comparison. Results: The SNR steadily increases as a function of dose and reaches a clinically adequate plateau of 80 at 10 cGy. Below this, the decrease in light collected and increase in pixel noise diminishes the SNR; nonetheless, the EPID acquisitions and the voxel correlation employed in the reconstruction algorithms result in suitable SNR values (>75) even at low doses. For dynamic measurements at varying MLC speeds, central relative dose profiles are characterized by gradients at %D{sub 50} of 8.48 to 22.7 %/mm. These values converge towards the 32.8 %/mm-gradient measured for the static reference field profile, but are limited by the dosimeter’s current acquisition rate of 1Hz. Conclusion: This study emphasizes the efficiency of the 3D dose distribution reconstructions, while identifying limits of the current prototype’s temporal resolution in terms of dynamic EBRT parameters. This work paves the way for providing an optimized, second-generational real-time 3D scintillation dosimeter capable of highly efficient and precise dose measurements. The presenting author is financially supported by an Alexander-Graham Bell doctoral scholarship from the Natural Sciences and Engineering Research Council of Canada (NSERC).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A robust and efficient method for the extraction of plant extracellular surface lipids as applied to the analysis of silks and seedling leaves of maize

Aerial plant organs possess a diverse array of extracellular surface lipids, including both non-polar and amphipathic constituents that collectively provide a primary line of defense against environmental stressors. Extracellular surface lipids on the stigmatic silks of maize are composed primarily of saturated and unsaturated linear hydrocarbons, as well as fatty acids, and aldehydes. To efficiently extract lipids of differing polarities from maize silks, five solvent systems (hexanes; hexanes:diethyl ether (95:5); hexanes:diethyl ether (90:10); chloroform:hexanes (1:1) and chloroform) were tested by immersing fresh silks in solvent for different extraction times. Surface lipid recovery and the relative composition of individual constituents were impacted to varying degrees depending on solvent choice and duration of extraction. Analyses were performed using both silks and leaves to demonstrate the utility of the solvent- and time-optimized protocol in comparison to extraction with the commonly used chloroform solvent. Overall, the preferred solvent system was identified as hexanes:diethyl ether (90:10), based on its effectiveness in extracting surface hydrocarbons and fatty acids as well as its reduced propensity to extract presumed internal fatty acids. Metabolite profiling of wildtype and glossy1 seedlings, which are impaired in surface lipid biosynthesis, demonstrated the ability of the preferred solvent to extract extracellular surface lipids rich in amphipathic compounds (aldehydes and alcohols). In addition to the expected deficiencies in dotriacontanal and dotriacontan-1-ol for gl1 seedlings, an unexpected increase in fatty acid recovery was observed in gl1 seedlings extracted in chloroform, suggesting that chloro-form extracts lipids from internal tissues of gl1 seedlings. This highlights the importance of extraction method when evaluating mutants that have altered cuticular lipid compositions. Lastly, metabolite profiling of silks from maize inbreds B73 and Mo17, exposed to different environments and harvested at different ages, revealed differences in hydrocarbon and fatty acid composition, demonstrating the dynamic nature of surface lipid accumulation on silks.

59 BASIC BIOLOGICAL SCIENCES↗

Tracking and data relay satellite system configuration and tradeoff study. Volume 1: Study summary

A study was conducted to determine the configuration and tradeoffs of a tracking and data relay satellite. The study emphasized the design of a three axis stabilized satellite and a telecommunications system optimized for support of low and medium data rate user spacecraft. Telecommunications support to low and high, or low medium, and high data rate users, considering launches with the Delta 2914, the Atlas/Centaur, and the space shuttle was also considered. The following subjects are presented: (1) launch and deployment profile, (2) spacecraft mechanical and structural design, (3) attitude stabilization and control subsystem, and (4) reliability analysis.

Hill, T. E.↗

Use Computer-Aided Tools to Parallelize Large CFD Applications

Porting applications to high performance parallel computers is always a challenging task. It is time consuming and costly. With rapid progressing in hardware architectures and increasing complexity of real applications in recent years, the problem becomes even more sever. Today, scalability and high performance are mostly involving handwritten parallel programs using message-passing libraries (e.g. MPI). However, this process is very difficult and often error-prone. The recent reemergence of shared memory parallel (SMP) architectures, such as the cache coherent Non-Uniform Memory Access (ccNUMA) architecture used in the SGI Origin 2000, show good prospects for scaling beyond hundreds of processors. Programming on an SMP is simplified by working in a globally accessible address space. The user can supply compiler directives, such as OpenMP, to parallelize the code. As an industry standard for portable implementation of parallel programs for SMPs, OpenMP is a set of compiler directives and callable runtime library routines that extend Fortran, C and C++ to express shared memory parallelism. It promises an incremental path for parallel conversion of existing software, as well as scalability and performance for a complete rewrite or an entirely new development. Perhaps the main disadvantage of programming with directives is that inserted directives may not necessarily enhance performance. In the worst cases, it can create erroneous results. While vendors have provided tools to perform error-checking and profiling, automation in directive insertion is very limited and often failed on large programs, primarily due to the lack of a thorough enough data dependence analysis. To overcome the deficiency, we have developed a toolkit, CAPO, to automatically insert OpenMP directives in Fortran programs and apply certain degrees of optimization. CAPO is aimed at taking advantage of detailed inter-procedural dependence analysis provided by CAPTools, developed by the University of Greenwich, to reduce potential errors made by users. Earlier tests on NAS Benchmarks and ARC3D have demonstrated good success of this tool. In this study, we have applied CAPO to parallelize three large applications in the area of computational fluid dynamics (CFD): OVERFLOW, TLNS3D and INS3D. These codes are widely used for solving Navier-Stokes equations with complicated boundary conditions and turbulence model in multiple zones. Each one comprises of from 50K to 1,00k lines of FORTRAN77. As an example, CAPO took 77 hours to complete the data dependence analysis of OVERFLOW on a workstation (SGI, 175MHz, R10K processor). A fair amount of effort was spent on correcting false dependencies due to lack of necessary knowledge during the analysis. Even so, CAPO provides an easy way for user to interact with the parallelization process. The OpenMP version was generated within a day after the analysis was completed. Due to sequential algorithms involved, code sections in TLNS3D and INS3D need to be restructured by hand to produce more efficient parallel codes. An included figure shows preliminary test results of the generated OVERFLOW with several test cases in single zone. The MPI data points for the small test case were taken from a handcoded MPI version. As we can see, CAPO's version has achieved 18 fold speed up on 32 nodes of the SGI O2K. For the small test case, it outperformed the MPI version. These results are very encouraging, but further work is needed. For example, although CAPO attempts to place directives on the outer- most parallel loops in an interprocedural framework, it does not insert directives based on the best manual strategy. In particular, it lacks the support of parallelization at the multi-zone level. Future work will emphasize on the development of methodology to work in a multi-zone level and with a hybrid approach. Development of tools to perform more complicated code transformation is also needed.

Jin, H.↗

Research Of Airborne Precision Spacing to Improve Airport Arrival Operations

In September 2004, the European Organization for the Safety of Air Navigation (EUROCONTROL) and the United States Federal Aviation Administration (FAA) signed a Memorandum of Cooperation to mutually develop, modify, test, and evaluate systems, procedures, facilities, and devices to meet the need for safe and efficient air navigation and air traffic control in the future. In the United States and Europe, these efforts are defined within the architectures of the Next Generation Air Transportation System (NextGen) Program and Single European Sky Air Traffic Management Research (SESAR) Program respectively. Both programs have identified Airborne Spacing as a critical component, with Automatic Dependent Surveillance Broadcast (ADS-B) as a key enabler. Increased interest in reducing airport community noise and the escalating cost of aviation fuel has led to the use of Continuous Descent Arrival (CDA) procedures to reduce noise, emissions, and fuel usage compared to current procedures. To provide these operational enhancements, arrival flight paths into terminal areas are planned around continuous vertical descents that are closer to an optimum trajectory than those in use today. The profiles are designed to be near-idle descents from cruise altitude to the Final Approach Fix (FAF) and are typically without any level segments. By staying higher and faster than conventional arrivals, CDAs also save flight time for the aircraft operator. The drawback is that the variation of optimized trajectories for different types and weights of aircraft requires the Air Traffic Controller to provide more airspace around an aircraft on a CDA than on a conventional arrival procedure. This additional space decreases the throughput rate of the destination airport. Airborne self-spacing concepts have been developed to increase the throughput at high-demand airports by managing the inter-arrival spacing to be more precise and consistent using on-board guidance. It has been proposed that the additional space needed around an aircraft performing a CDA could be reduced or eliminated when using airborne spacing techniques.

Barmore, Bryan E.↗

Achieving Climate Change Absolute Accuracy in Orbit

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission will provide a calibration laboratory in orbit for the purpose of accurately measuring and attributing climate change. CLARREO measurements establish new climate change benchmarks with high absolute radiometric accuracy and high statistical confidence across a wide range of essential climate variables. CLARREO's inherently high absolute accuracy will be verified and traceable on orbit to Système Internationale (SI) units. The benchmarks established by CLARREO will be critical for assessing changes in the Earth system and climate model predictive capabilities for decades into the future as society works to meet the challenge of optimizing strategies for mitigating and adapting to climate change. The CLARREO benchmarks are derived from measurements of the Earth's thermal infrared spectrum (5-50 micron), the spectrum of solar radiation reflected by the Earth and its atmosphere (320-2300 nm), and radio occultation refractivity from which accurate temperature profiles are derived. The mission has the ability to provide new spectral fingerprints of climate change, as well as to provide the first orbiting radiometer with accuracy sufficient to serve as the reference transfer standard for other space sensors, in essence serving as a "NIST [National Institute of Standards and Technology] in orbit." CLARREO will greatly improve the accuracy and relevance of a wide range of space-borne instruments for decadal climate change. Finally, CLARREO has developed new metrics and methods for determining the accuracy requirements of climate observations for a wide range of climate variables and uncertainty sources. These methods should be useful for improving our understanding of observing requirements for most climate change observations.

Wielicki, Bruce A.↗

Archetypal TRMM Radar Profiles Identified Through Cluster Analysis

It is widely held that identifiable 'convective regimes' exist in nature, although precise definitions of these are elusive. Examples include land / Ocean distinctions, break / monsoon beahvior, seasonal differences in the Amazon (SON vs DJF), etc. These regimes are often described by differences in the realized local convective spectra, and measured by various metrics of convective intensity, depth, areal coverage and rainfall amount. Objective regime identification may be valuable in several ways: regimes may serve as natural 'branch points' in satellite retrieval algorithms or data assimilation efforts; one example might be objective identification of regions that 'should' share a similar 2-R relationship. Similarly, objectively defined regimes may provide guidance on optimal siting of ground validation efforts. Objectively defined regimes could also serve as natural (rather than arbitrary geographic) domain 'controls' in studies of convective response to environmental forcing. Quantification of convective vertical structure has traditionally involved parametric study of prescribed quantities thought to be important to convective dynamics: maximum radar reflectivity, cloud top height, 30-35 dBZ echo top height, rain rate, etc. Individually, these parameters are somewhat deficient as their interpretation is often nonunique (the same metric value may signify different physics in different storm realizations). Individual metrics also fail to capture the coherence and interrelationships between vertical levels available in full 3-D radar datasets. An alternative approach is discovery of natural partitions of vertical structure in a globally representative dataset, or 'archetypal' reflectivity profiles. In this study, this is accomplished through cluster analysis of a very large sample (0[107) of TRMM-PR reflectivity columns. Once achieved, the rainconditional and unconditional 'mix' of archetypal profile types in a given location and/or season provides a description of the local convective spectrum which retains vertical structure information. A further cluster analysis of these 'mixes' can identify recurrent convective spectra. These are a first step towards objective identification of convective regimes, and towards answering the question: 'What are the most convectively similar locations in the world?'

Boccippio, Dennis J.↗

Neural Network-Based Electric Vehicle Range Prediction for Smart Charging Optimization

Range prediction is a standard feature in most modern road vehicles, allowing drivers to make informed decisions about when to refuel. Most vehicles make range predictions through data- or model-driven means, monitoring the average fuel consumption rate or using a tuned vehicle model to predict fuel consumption. The uncertainty of future driving conditions makes the range prediction problem challenging, particularly for less pervasive battery electric vehicles (BEV). Most contemporary machine learning-based methods attempt to forecast the battery SOC discharge profile to predict vehicle range. In this work, we propose a novel approach using two recurrent neural networks (RNNs) to predict the remaining range of BEVs and the minimum charge required to safely complete a trip. Each RNN has two outputs that can be used for statistical analysis to account for uncertainties; the first loss function leads to mean and variance estimation (MVE), while the second results in bounded interval estimation (BIE). These outputs of the proposed RNNs are then used to predict the probability of a vehicle completing a given trip without charging, or if charging is needed, the remaining range and minimum charging required to finish the trip with high probability. Training data was generated using a low-order physics model to estimate vehicle energy consumption from historical drive cycle data collected from medium-duty last-mile delivery vehicles. Here, the proposed method demonstrated high accuracy in the presence of day-to-day route variability, with the root-mean-square error (RMSE) below 6% for both RNN models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An Integrated Approach To Offshore Wind Energy Assessment: Great Lakes 3D Wind Experiment

This grant supported fundamental research into the characterization of flow parameters of relevance to the wind energy industry focused on offshore and the coastal zone. A major focus of the project was application of the latest generation of remote sensing instrumentation and also integration of measurements and numerical modeling to optimize characterization of time-evolving atmospheric flow parameters in 3-D. Our research developed a new data-constrained Wind Atlas for the Great Lakes, and developed new insights into flow parameters in heterogeneous environments. Four experiments were conducted during the project: At a large operating onshore wind farm in May 2012; At the National Renewable Energy Laboratory National Wind Technology Center (NREL NWTC) during February 2013; At the shoreline of Lake Erie in May 2013; and At the Wind Energy Institute of Canada on Prince Edward Island in May 2015. The experiment we conducted in the coastal zone of Lake Erie indicated very complex flow fields and the frequent presence of upward momentum fluxes and resulting distortion of the wind speed profile at turbine relevant heights due to swells in the Great Lakes. Additionally, our data (and modeling) indicate the frequent presence of low level jets at 600 m height over the Lake and occasions when the wind speed profile across the rotor plane may be impacted by this phenomenon. Experimental data and modeling of the fourth experiment on Prince Edward Island showed that at 10-14 m escarpment adjacent to long-overseas fetch the zone of wind speed decrease before the terrain feature and the increase at (and slightly downwind of) the escarpment is ~3–5% at turbine hub-heights. Additionally, our measurements were used to improve methods to compute the uncertainty in lidar-derived flow properties and to optimize lidar-scanning strategies. For example, on the basis of the experimental data we collected plus those from one of our research partners we advanced a new methodology to estimate a priori the uncertainty in wind speed retrievals from arc scans based on site characteristics such as wind velocity, turbulence intensity and proposed scan geometry. Insights regarding use of remote sensing technologies deriving from project experiments were used to compile a best practice document http://doi.org/10.7298/X4QV3JGF for measuring wind speeds and turbulence offshore through in-situ and remote sensing technologies. A project-specific web-site was developed and is available at: http://www.geo.cornell.edu/eas/PeoplePlaces/Faculty/spryor/DoE_AIATOWEA/index.html

17 WIND ENERGY↗

Enhanced red luminescence quantum yield from Gd3+/Eu3+: CaLa2ZnO5 phosphor spheres for photonic applications

Highlights: • Ravishing red emission is observed from Gd{sup 3+}/Eu{sup 3+}: CaLa{sub 2}ZnO{sub 5} phosphor spheres. • Red emission of Eu{sup 3+} was significantly enhanced by co-doping with Gd{sup 3+}. • Effective sensitization of Gd{sup 3+} ions and enhanced quantum yield have been elucidated. • Energy transfer from Gd{sup 3+} to Eu{sup 3+} was demonstrated by several fluorescence dynamics. • CIE coordinates are very close to National Television Standard Committee (NTSC). - Abstract: Novel bright red emission was obtained from co-doped Gd{sup 3+}/Eu{sup 3+}: CaLa{sub 2}ZnO{sub 5} (CLZO) phosphor spheres. We have successfully synthesized co-doped Gd{sup 3+}/Eu{sup 3+}: CLZO phosphor spheres by citrate sol-gel method. Structural and morphological analysis was carried out by XRD and FE-SEM. EDS and XPS studies were employed to analyze the presence of elements and their ionic states respectively. The complex formation studies were carried out by the FTIR spectral study. The photoluminescence spectral profiles confirm the dazzling red emission has been observed at 626 nm ({sup 5}D{sub 0} → {sup 7}F{sub 2}) from the Eu{sup 3+}: CLZO phosphors under the excitation of 467 nm. Upon increasing the Eu{sup 3+} concentration, the photoluminescence performance has also increased remarkably. The optimized concentration of the Eu{sup 3+} was noticed at 12 mol%. Upon co-doping with Gd{sup 3+} ions to Eu{sup 3+}: CLZO phosphors, the red emission pertaining to Eu{sup 3+} was appreciably enhanced through energy transfer from Gd{sup 3+} to Eu{sup 3+} ions. The energy transfer mechanism was substantiated by several fluorescent methods such as lifetime decay dynamics and quantum efficiencies. Commission International de I’Echairage (CIE) 1931 chromaticity coordinates (x–y) calculated for singly doped and co-doped CLZO samples. The CIE coordinates were found to be (0.6644, 0.3355) and (0.6688, 0.3311) respectively, which were good consistent with the standard values of NTSC surprisingly. Correlated color temperature (CCT) value was evaluated for optimised co-doped sample and it was found to be between 2000–5000 K which could be more preferable red component for warm white light applications. The lifetime and quantum efficiency of the optimized co-doped sample have been evaluated as 1.102 ms and 69% respectively. The ravishing red emission of the Gd{sup 3+}/Eu{sup 3+}: CLZO phosphor spheres which suggests that these phosphor materials could be promising candidates for red luminescent optical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Molecular property prediction for very large databases with natural language processing: a case study in ionic liquid design

The prospect of using artificial intelligence (AI) to accurately screen very large databases of compounds for multiple properties has yet to be realized. Here, we explore this possibility using ionic liquids (ILs) which offer unique physicochemical properties and excellent tunability, making them highly versatile solvents for various research applications. Screening millions of potential ILs for the best perfomance for use in specific tasks with experimental methods alone however, is impractical. Further, traditional’ physics-based computational chemistry is hindered by high computational cost. To address this challenge, we leverage a natural language processing (NLP)-based molecular embedding technique with advanced machine learning (ML) models to predict seven key IL properties: viscosity, density, ionic conductivity, surface tension, melting temperature, toxicity, and water solubility. Comprehensive datasets for these properties are obtained, then NLP featurization with Mol2vec is compared with other featurization techniques such as 2D Morgan fingerprints, and 3D quantum chemistry-derived sigma profiles. NLP-based featurization exhibited the best predictive performance, achieving the highest R 2 and lowest RMSE values for all the studied IL properties. Further, we present case studies of how ILs might be screened using combined property criteria for practical cases – lignocellulosic biomass processing, CO 2 capture, and optimal electrolytes for batteries – screening a novel database of ∼10.6 million generated feasible ILs. The results introduce NLP as a powerful tool for engineering many designer solvents with desirable properties for task specific applications.

Mohan, Mood [Oak Ridge National Laboratory (ORNL),↗

Design and application of ion-implanted polySi passivating contacts for interdigitated back contact c-Si solar cells

Ion-implanted passivating contacts based on poly-crystalline silicon (polySi) are enabled by tunneling oxide, optimized, and used to fabricate interdigitated back contact (IBC) solar cells. Both n-type (phosphorous doped) and p-type (boron doped) passivating contacts are fabricated by ion-implantation of intrinsic polySi layers deposited via low-pressure chemical vapor deposition and subsequently annealed. The impact of doping profile on the passivation quality of the polySi doped contacts is studied for both polarities. It was found that an excellent surface passivation could be obtained by confining as much as possible the implanted-and-activated dopants within the polySi layers. The doping profile in the polySi was controlled by modifying the polySi thickness, the energy and dose of ion-implantation, and the temperature and time of annealing. An implied open-circuit voltage of 721 mV for n-type and 692 mV for p-type passivating contacts was achieved. Besides the high passivating quality, the developed passivating contacts exhibit reasonable high conductivity (R{sub sh n-type} = 95 Ω/□ and R{sub sh p-type} = 120 Ω/□). An efficiency of 19.2% (V{sub oc} = 673 mV, J{sub sc} = 38.0 mA/cm{sup 2}, FF = 75.2%, and pseudo-FF = 83.2%) was achieved on a front-textured IBC solar cell with polySi passivating contacts as both back surface field and emitter. By improving the front-side passivation, a V{sub OC} of 696 mV was also measured.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗