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At least 307 records · Page 17

High performance polymerized small molecule acceptor by synergistic optimization on $\pi$-bridge linker and side chain

The polymerized small-molecule acceptors have attracted great attention for application as polymer acceptor in all-polymer solar cells recently. The modification of small molecule acceptor building block and the π-bridge linker is an effective strategy to improve the photovoltaic performance of the polymer acceptors. In this work, we synthesized a new polymer acceptor PG-IT2F which is a modification of the representative polymer acceptor PY-IT by replacing its upper linear alkyl side chains on the small molecule building block with branched alkyl chains and attaching difluorene substituents on its thiophene π-bridge linker. Through this synergistic optimization, PG-IT2F possesses more suitable phase separation, increased charge transportation, better exciton dissociation, lower bimolecular recombination, and longer charge transfer state lifetime than PY-IT in their polymer solar cells with PM6 as polymer donor. Therefore, the devices based on PM6:PG-IT2F demonstrated a high power conversion efficiency of 17.24%, which is one of the highest efficiency reported for the binary all polymer solar cells to date. This work indicates that the synergistic regulation of small molecule acceptor building block and π-bridge linker plays a key role in designing and developing highly efficient polymer acceptors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Recent Advances in Small Angle X-ray Scattering for Superlattice Study

Small-angle x-ray scattering is used for the structure determination of superlattice for its superior resolution, nondestructive nature, and high penetration power of x rays. With the advent of high brilliance x-ray sources and innovative computing algorithms, there have been notable advances in small angle x-ray scattering analysis of superlattices. High brilliance x-ray beams have made data analyses less model-dependent. Additionally, novel data acquisition systems are faster and more competitive than ever before, enabling a more accurate mapping of the superlattices' reciprocal space. Fast and high-throughput computing systems and algorithms also make possible advanced analysis methods, including iterative phasing algorithms, non-parameterized fitting of scattering data with molecular dynamics simulations, and the use of machine learning algorithms. As a result, solving nanoscale structures with high resolutions has become an attainable task. In this review, we highlight new developments in the field and introduce their applications for the analysis of nanoscale ordered structures, including nanoparticle supercrystals, nanoscale lithography patterns, and supramolecular self-assemblies. Particularly, we highlight the reciprocal space mapping techniques and the use of iterative phase retrieval algorithms. We also cover coherent-beam-based small angle x-ray scattering techniques such as ptychography and ptycho-tomography in view of the traditional small angle x-ray scattering perspective.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Technoeconomic Design Optimization for Fast Reactors. Part I: Workflow Development and Case Study for Small LFR District Energy Application

The nuclear industry is developing small reactor designs that can target a variety of deployment locations and energy products. Smaller nuclear designs have traditionally struggled to handle the steep trade-offs between size and cost that have historically incentivized large reactors. This motivates computational optimization of small reactors to minimize costs and quantify the trade-off between size and cost. In this paper, the cost/size trade-off for a small fast reactor is derived using a multi-objective genetic algorithm optimization, with steady-state, transient, and cost analysis of the fast reactor being performed. Specifically, the method is demonstrated on a small 10- to 120-MW(thermal) U-Pu-Zr–fueled lead-cooled fast reactor with a 10-year core life for district energy applications, which can have a thermal load compatible with this range. The results reinforced that fast reactor cores at the lower end of this power range suffer cost penalties due to critical mass considerations. It was found that high power density cores with strong reactivity swings and many control rods were favored over designing to minimize reactivity swing. Furthermore, this contrasts with some traditional configurations designed using engineering judgment and demonstrates that optimizers can find nontraditional but realistic solutions, along with demonstrating the value of incorporating cost functions into whole-reactor design optimization.

Fast reactor↗

Coherent charge hopping suppresses photoexcited small polarons in ErFeO 3 by antiadiabatic formation mechanism

Polarons are prevalent in condensed matter systems with strong electron-phonon coupling. The adiabaticity of the polaron relates to its transport properties and spatial extent. To date, only adiabatic small polaron formation has been measured following photoexcitation. The lattice reorganization energy is large enough that the first electron–optical phonon scattering event creates a small polaron without requiring substantial carrier thermalization. We measure that frustrating the iron-centered octahedra in the rare-earth orthoferrite ErFeO 3 leads to antiadiabatic polaron formation. Coherent charge hopping between neighboring Fe 3+ –Fe 2+ sites is measured with transient extreme ultraviolet spectroscopy and lasts several picoseconds before the polaron forms. The resulting small polaron formation time is an order of magnitude longer than previous measurements and indicates a shallow potential well, even in the excited state. The results emphasize the importance of considering dynamic electron-electron correlations, not just electron-phonon–induced lattice changes, for small polarons for transport, catalysis, and photoexcited applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Small Mammal Prey Study for the Mexican Spotted Owl at Two Locations at Los Alamos National Laboratory

In New Mexico, Mexican spotted owls (Strix occidentalis lucida) are typically found in rocky canyons consisting of mixed-conifer forests that have experienced minimal human disturbance. At Los Alamos National Laboratory (LANL), Mexican spotted owls have been found breeding and foraging in habitats consistent with their known biology, but face the impact of human encroachment in the surrounding upland habitat. Little is known about the prey base present within the Laboratory’s vast forests. In anticipation of expanding human development in proximity to known occupied owl habitat, the goal of our study was to evaluate the small mammal prey base available to Mexican spotted owls at the Laboratory and to assess prey availability, diversity and composition. We sampled two study plots within the Laboratory’s forests for small mammals in 2021. Study plots were situated in conifer, deciduous, mixed conifer-deciduous and mixed oak. Our small mammal trapping efforts and SCR modeling revealed site-specific differences in prey base diversity, abundance and density between the unoccupied Pajarito Canyon and nearby occupied Mortandad Canyon site. These results highlight how managing tracts of land for small mammal prey base may overlap with goals set forth by researchers for Mexican spotted owl habitat needs. We recommend further trapping efforts to better understand prey availability in occupied and unoccupied sites at LANL as well as further investigation of prey selection through the dissection of pellets found in the areas surrounding known nesting locations.

54 ENVIRONMENTAL SCIENCES↗

Characterizing the Small-Scale Dynamical, Ice Microphysical, and Residual Aerosol Properties of Mid-Latitude Cold Clouds: A Pilot Study (Final Report)

Our understanding of cirrus clouds has been advancing rapidly due to improvements in measurements made inside clouds, computer cloud models, and laboratory experimentation. This advancement in knowledge has made it clear that cirrus are complicated systems where the intricate interactions among dynamic air motions, solar and terrestrial radiation, ice crystal growth, and water and air chemistry can substantially influence cirrus structure and evolution. Measurements made inside clouds have shown that cirrus crystals are often complex with shapes that are often unclassifiable, especially at small sizes. Laboratory measurements have revealed that the ice crystal surface is complex, even at small sizes. Recent laboratory and satellite studies show that this surface complexity modifies the radiative properties of cirrus clouds in important ways. Moreover, observations and computer cloud modeling work show that the larger and smaller scale properties of cirrus are sensitive to the interplay between small-scale air motions and the aerosol articles upon which cirrus ice crystals form. Taken together, these studies indicate that accurately accounting for the radiative properties of cirrus clouds requires knowing the air motions and aerosol properties that influence the number concentration and crystal size, along with an understanding of the surface properties of vapor grown ice. Although this prior work has been illuminating, there have been few studies that provide detailed shape and surface complexity measurements for the small ice crystals that often compose cirrus clouds.

54 ENVIRONMENTAL SCIENCES↗

Design Requirements and Software Specification for the Autonomous Energy Management Software System for Small Commercial Buildings

Commercial buildings are responsible for approximately 20 percent of the total United States energy consumption and greenhouse gas emissions. Over 85 percent of these buildings lack building automation systems. Many of these buildings are small (<50,000 square feet), underserved, and use rooftop units for heating, ventilation, and air-conditioning needs. Because these buildings lack proper energy management systems, they have several operational deficiencies that lead to excess energy consumption. Studies have shown that managing the rooftop units heating and cooling set points, schedules, setbacks, and optimal start can result in 20 to 25 percent reduction in electricity consumption in small commercial buildings. In addition, improving demand flexibility of these buildings will result additional cost savings for the building owner. Therefore, the Department of Energy’s Building Technologies Office approved a project to address the needs for small commercial buildings. The project is led by Pacific Northwest National Laboratory (PNNL) with Intellimation LLC as the cooperative research and development agreement partner. The primary goal of the project is to develop and validate an autonomous energy management software (AEMS) system that will continuously optimize small commercial building operations by minimizing energy consumption and cost, while providing a solution for maximizing decarbonization benefits from electrification of buildings. The work will leverage the vast experience of PNNL research and development staff who have over two decades of experience in developing and successfully transferring software technologies to the private sector. This solution will be jointly developed with Intellimation, a company that plans to use it to scale their building energy efficiency (EE) and grid services offering. Widespread deployment of the AEMS system will improve the EE and demand flexibility of the building commercial building stock. It should also support cities and states in meeting their climate change mitigation goals. This document describes the various EE and grid service features of the AEMS system, infrastructure and data required to implement those features, and how the features should be automated. It also details how the various features will be tested and validated, including field validation. The document also details what flexibility the users have and how they will be able to leverage those capabilities exercise those. The intent is to create an AEMS system that would support scalable deployment, requires minimal configuration, and is easy to maintain over its expected lifespan. The initial alpha release of AEMS system is planned for March 2023, and the beta release is planned for the summer of 2023. The final release is planned for March 2024. Section 2 of the report documents the relevant building types that AEMS is suitable for. Section 3 documents EE features that will be supported. It will also include the data requirements, hardware requirements, implementation details, and how EE features will be tested and validated. Grid service features will be documented in section 4, including data requirements, hardware requirements, implementation details, and how the services will be tested and validated. Planned next steps are described in section 5.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Proton Spin from Small-x With Constraints from the Valence Quark Model

We apply the valence quark model to constrain the non-perturbative initial condition for the small-x helicity evolution. The remaining free parameters are constrained by performing a global analysis to the available polarized small-x deep inelastic scattering data. A good description of the world data is obtained with only 8 free parameters. The model parameters are tightly constrained by the data, allowing us to predict the proton polarized structure-function to be negative at small x. Furthermore, we obtain the small-x quark and gluon spins, depending on the applied running coupling prescription.

Adamiak, Daniel [Thomas Jefferson National Acceler↗

Boiling from small cylinders.

Heat transfer is observed as a function of temperature on small horizontal wires in water and four organic liquids. When the wire radius is sufficiently small, the hydrodynamic transitions in the boiling curve disappear and the curve becomes monotonic. Three modes of heat removal are identified for the monotonic curve and described analytically: a natural convection mode, a mixed film boiling and natural convection mode, and a pure film boiling mode. Nucleate boiling does not occur on the small wires. The study was motivated by an interest in predicting the behavior of large heaters at low gravity. The application of the present results to such circumstances is therefore discussed. It is proposed that the peak and minimum heat fluxes will vanish at low gravity as well as on small wires.

Bakhru, N.↗

Synchrotron sources. I - Extension of theory for small pitch angles.

Some of the features of synchrotron radiation are examined which occur when relativistic particles move at small pitch angles in a magnetic field. The emission from individual particles is computed. The general properties of the emission from distributions of particles with small pitch angles is discussed, and the emissivities and degrees of polarization for several specific source models are presented. For sources which mainly contain particles with small pitch angles, the degree of circular polarization will normally be high, whereas, if the magnetic field is somewhat irregular, the degree of linear polarization will be small. If the particle distribution also has a low-energy cutoff, the emissivity will vary linearly with frequency at low frequencies.

Epstein, R. I.↗

Small scale thematic mapping - A case for radar imagery

Small scale thematic maps (1:250,000 and smaller) of physical and cultural phenomena manifested on the landscape are a major concern to scientists and investigators in diverse disciplines. A strip of K-band radar imagery consisting of a traverse from eastern Minnesota to northern Utah was employed to evaluate the potential of radar imagery for small scale land use mapping. In the course of this investigation, it was discovered that certain borders derived from radar imagery were compatible with borders found on the nonland use thematic maps used for comparison. Specifically, numerous borders and regions of small scale maps of landforms, soils, vegetation, and geology are found to be similar to the radar land use regions. Although far from conclusive it appears that radar imagery can be employed in the small scale mapping of landforms and possibly for mapping physiognomic or economic vegetation.

Henderson, F. M.↗

Advanced System Design Requirements for Large and Small Fixed-wing Aerial Application Systems for Agriculture

Several candidate aircraft configurations were defined over the range of 1000 to 10,000 pounds payload and evaluated over a broad spectrum of agricultural missions. From these studies, baseline design points were selected at 3200 pounds payload for the small aircraft and 7500 pounds for the large aircraft. The small baseline aircraft utilizes a single turboprop powerplant while the large aircraft utilizes two turboprop powerplants. These configurations were optimized for wing loading, aspect ratio, and power loading to provide the best mission economics in representative missions. Wing loading of 20 lb/sq ft was selected for the small aircraft and 25 lb/sq ft for the large aircraft. Aspect ratio of 8 was selected for both aircraft. It was found that a 10% reduction in engine power from the original configurations provided improved mission economics for both aircraft by reducing the cost of the turboprop. Refined configurations incorporate a 675 HP engine in the small aircraft and two 688 HP engines in the large aircraft.

Hinely, J. T., Jr.↗

Site participation in the small community experiment

The Small Community Solar Thermal Experiment, planned to test a small, developmental solar thermal power plant in a small community application, is assessed. The baseline plan is to install a field of parabolic dishes with distributed generation to provide 1 MWe of experimental power. Participation by the site proposer is an integral element of the experiment; the proposer will provide a ten-acre site, a connection to the electrical distributional system serving the small community, and various services. In addition to the primary participant, site study efforts may be pursued at as many as five alternative sites.

Holbeck, H. J.↗

Small-amplitude viscous motion on arbitrary potential flows

This paper is concerned with small-amplitude, unsteady, vortical and entropic motion imposed on steady potential flows. It is restricted to the case where the spatial scale of the unsteady motion is small compared to that of the mean flow. Under such conditions, the unsteady motion may be influenced by viscosity even if the mean flow is not. An exact high-frequency (small-wavelength) solution is obtained for the small-amplitude viscous motion imposed on a steady potential flow. It generalizes the one obtained by Pearson (1959) for the homogeneous-strain case to the case of quasi-homogeneous strain. This result is used to study the effect of viscosity on rapidly distorted turbulent flows. Specific numerical results are given for a turbulent flow near a two-dimensional stagnation point.

Goldstein, M. E.↗

Selection effects against small comets

Everhart's (1967) formulation is used to determine the correlation between the probability of discovering a comet and the size of its nuclear radius. The analysis is concentrated on comets that are not more than two or three hundred meters in diameter; hence, heliocentric variations in cometary brightness can be neglected. The effect of cometary physical decay is also considered, and a strong observational bias against the detection of small active comets is found. The following three factors are involved: (1) small comets must pass closer to the earth than large comets in order to be detected, (2) the resulting higher angular velocity for nearby comets leads to a decrease in the time available to discover a small comet, and (3) small comets physically decay and vanish faster than do large comets.

Zook, H. A.↗

The crystallization of small particles and droplets

A general expression is derived for the volume fraction of material crystallized as a function of time for the situation where boundary effects may be important, and it is applied to a sample consisting of a monodisperse array of small particles. It is assumed that crystallization occurs via homogeneous nucleation followed by crystal growth. The crystallization rate is shown to be controlled by a single dimensionless parameter, beta. Beta exp 1/4 is a dimensionless particle radius which tends to be small when the growth rate is large or when the nucleation rate is small. When beta is large, the general expression for the volume fraction transformed reduces to the standard expression valid for bulk samples. When beta is small, it reduces to the formula used to compute the volume fraction crystallized in droplet undercooling experiments. Hence, the present results are pertinent for the interpretation of some droplet undercooling experiments as well as isothermal DSC and DTA experiments.

Weinberg, M. C.↗

On the interaction of small and large eddies in two dimensional turbulent flows

Some results concerning the interaction of small and large eddies to two dimensional turbulent flows are presented. It is shown that the amplitude of small structures decays exponentially to a small value, and from this is inferred a simplified interaction law of small and large eddies. Beside their intrinsic interest for the understanding of the physics of turbulence, these results lead to new numerical schemes to be studied in a separate work.

Foias, C.↗

Small space reactor power systems for unmanned solar system exploration missions

A preliminary feasibility study of the application of small nuclear reactor space power systems to the Mariner Mark II Cassini spacecraft/mission was conducted. The purpose of the study was to identify and assess the technology and performance issues associated with the reactor power system/spacecraft/mission integration. The Cassini mission was selected because study of the Saturn system was identified as a high priority outer planet exploration objective. Reactor power systems applied to this mission were evaluated for two different uses. First, a very small 1 kWe reactor power system was used as an RTG replacement for the nominal spacecraft mission science payload power requirements while still retaining the spacecraft's usual bipropellant chemical propulsion system. The second use of reactor power involved the additional replacement of the chemical propulsion system with a small reactor power system and an electric propulsion system. The study also provides an examination of potential applications for the additional power available for scientific data collection. The reactor power system characteristics utilized in the study were based on a parametric mass model that was developed specifically for these low power applications. The model was generated following a neutronic safety and operational feasibility assessment of six small reactor concepts solicited from U.S. industry. This assessment provided the validation of reactor safety for all mission phases and generatad the reactor mass and dimensional data needed for the system mass model.

Bloomfield, Harvey S.↗