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All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Neutron and X-ray Detectors

The Basic Energy Sciences (BES) X-ray and neutron user facilities attract more than 12,000 researchers each year to perform cutting-edge science at these state-of-the-art sources. While impressive breakthroughs in X-ray and neutron sources give us the powerful illumination needed to peer into the nano- to mesoscale world, a stumbling block continues to be the distinct lag in detector development, which is slowing progress toward data collection and analysis. Urgently needed detector improvements would reveal chemical composition and bonding in 3-D and in real time, allow researchers to watch “movies” of essential life processes as they happen, and make much more efficient use of every X-ray and neutron produced by the source The immense scientific potential that will come from better detectors has triggered worldwide activity in this area. Europe in particular has made impressive strides, outpacing the United States on several fronts. Maintaining a vital U.S. leadership in this key research endeavor will require targeted investments in detector R&D and infrastructure. To clarify the gap between detector development and source advances, and to identify opportunities to maximize the scientific impact of BES user facilities, a workshop on Neutron and X-ray Detectors was held August 1-3, 2012, in Gaithersburg, Maryland. Participants from universities, national laboratories, and commercial organizations from the United States and around the globe participated in plenary sessions, breakout groups, and joint open-discussion summary sessions. Sources have become immensely more powerful and are now brighter (more particles focused onto the sample per second) and more precise (higher spatial, spectral, and temporal resolution). To fully utilize these source advances, detectors must become faster, more efficient, and more discriminating. In supporting the mission of today’s cutting-edge neutron and X-ray sources, the workshop identified six detector research challenges (and two computing hurdles that result from the corresponding increase in data volume) for the detector community to overcome in order to realize the full potential of BES neutron and X-ray facilities. Resolving these detector impediments will improve scientific productivity both by enabling new types of experiments, which will expand the scientific breadth at the X-ray and neutron facilities, and by potentially reducing the beam time required for a given experiment. These research priorities are summarized in the table below. Note that multiple, simultaneous detector improvements are often required to take full advantage of brighter sources. High-efficiency hard X-ray sensors: The fraction of incident particles that are actually detected defines detector efficiency. Silicon, the most common direct-detection X-ray sensor material, is (for typical sensor thicknesses) 100% efficient at 8 keV, 25%efficient at 20 keV, and only 3% efficient at 50 keV. Other materials are needed for hard X-rays. Replacement for 3He for neutron detectors: 3He has long been the neutron detection medium of choice because of its high cross section over a wide neutron energy range for the reaction 3He + n —> 3H + 1H + 0.764 MeV. 3He stockpiles are rapidly dwindling, and what is available can be had only at prohibitively high prices. Doped scintillators hold promise as ways to capture neutrons and convert them into light, although work is needed on brighter, more efficient scintillator solutions. Neutron detectors also require advances in speed and resolution. Fast-framing X-ray detectors: Today’s brighter X-ray sources make time-resolved studies possible. For example, hybrid X-ray pixel detectors, initially developed for particle physics, are becoming fairly mature X-ray detectors, with considerable development in Europe. To truly enable time-resolved studies, higher frame rates and dynamic range are required, and smaller pixel sizes are desirable. High-speed spectroscopic X-ray detectors: Improvements in the readout speed and energy resolution of X-ray detectors are essential to enable chemically sensitive microscopies. Advances would make it possible to take images with simultaneous spatial and chemical information. Very high-energy-resolution X-ray detectors: The energy resolution of semiconductor detectors, while suitable for a wide range of applications, is far less than what can be achieved with X-ray optics. A direct detector that could rival the energy resolution of optics could dramatically improve the efficiency of a multitude of experiments, as experiments are often repeated at a number of different energies. Very high-energy-resolution detectors could make these experiments parallel, rather than serial. Low-background, high-spatial-resolution neutron detectors: Low-background detectors would significantly improve experiments that probe excitations (phonons, spin excitations, rotation, and diffusion in polymers and molecular substances, etc.) in condensed matter. Improved spatial resolution would greatly benefit radiography, tomography, phase-contrast imaging, and holography. Improved acquisition and visualization tools: In the past, with the limited variety of slow detectors, it was straightforward to visualize data as it was being acquired (and adjust experimental conditions accordingly) to create a compact data set that the user could easily transport. As detector complexity and data rates explode, this becomes much more challenging. Three goals were identified as important for coping with the growing data volume from high-speed detectors: Facilitate better algorithm development. In particular, algorithms that can minimize the quantity of data stored. Improve community-driven mechanisms to reduce data protocols and enhance quantitative, interactive visualization tools. Develop and distribute community-developed, detector-specific simulation tools. Aim for parallelization to take advantage of high-performance analysis platforms. Improved analysis work flows: Standardize the format of metadata that accompanies detector data and describes the experimental setup and conditions. Develop a standardized user interface and software framework for analysis and data management. The diversity of detector improvements required is necessarily as broad as the range of scientific experimentation at BES facilities. This workshop identified a variety of avenues by which detector R&D can enable enhanced science at BES facilities. The Research Directions listed above will be addressed by focused R&D and detector engineering, both of which require specialized infrastructure and skills. While U.S. leadership in neutron and X-ray detectors lags behind other countries in several areas, significant talent exists across the complex. A forum of technical experts, facilities management, and BES could be a venue to provide further definition.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Engineering Ultrathin Alloy Shell in Au@AuPd Core-Shell Nanoparticles for Efficient Plasmon-Driven Photocatalysis

Bimetallic core-shell nanoparticles (NPs) possessing a synergetic coupling of plasmonic and catalytic metals have emerged as promising prototypes for efficient plasmon-driven photocatalysis. Here, Au@AuPd core-shell NPs composed of Au core NP and ultrathin AuPd shell are introduced to acquire improved light utilization efficiency in photocatalytic selective oxidation. With systematical control of the composition of the ultrathin alloy shell, it reveals that the Au@AuPd core-shell NPs with 10 at% Pd (in the single-atom alloy regime) is an effective nanostructure capable of maximizing the quantum yield of plasmon-induced light absorption and optimizing the surface electronic structure for catalytic reactions. This controlled system provides new insights into shell engineering for enhancing photocatalytic performance via the regulation of energy funneling processes in core-shell nanocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Functionalized Metal–Organic Framework Thin Films for Stable and Efficient Electrochemical Water Oxidation under Near-Neutral Conditions

The development of molecularly modified metal− organic frameworks (MOFs) for electrochemical water oxidation has emerged as a promising strategy for efficient artificial photosynthesis. In this study, a ruthenium-based water oxidation catalyst (WOC) was incorporated into the UiO-67 framework, forming RuM−UiO-67 films grown directly on conductive FTO substrates. These modified films demonstrate efficient water oxidation activity at near-neutral pH (pH 6), operating at a low overpotential of ∼600 mV. The catalyst exhibits a turnover frequency (TOF) of (0.32 ± 0.02) s −1 at 1.5 V versus the normal hydrogen electrode (NHE) in buffered solution (pH 6) for the oxygen evolution reaction. Notably, incorporation into the MOF results in a 12-fold increase in electroactive surface coverage compared to a monolayer of the same catalyst on bare FTO. Faradaic efficiency analysis revealed incomplete conversion to O 2 , and follow-up iodometric analysis confirmed the formation of H 2 O 2 as a competing two-electron oxidation product during electrocatalysis. These results highlight the utility of MOF-based architectures for maximizing the catalyst accessibility and stability under electrochemical water oxidation conditions.

catalysts↗
DOE OSTI2022

An Evolutionary Algorithm to Personalize Stool-Based Colorectal Cancer Screening

Fecal immunochemical testing (FIT) is an established method for colorectal cancer (CRC) screening. Measured FIT-concentrations are associated with both present and future risk of CRC, and may be used for personalized screening. However, evaluation of personalized screening is computationally challenging. In this study, a broadly applicable algorithm is presented to efficiently optimize personalized screening policies that prescribe screening intervals and FIT-cutoffs, based on age and FIT-history. We present a mathematical framework for personalized screening policies and a bi-objective evolutionary algorithm that identifies policies with minimal costs and maximal health benefits. The algorithm is combined with an established microsimulation model (MISCAN-Colon), to accurately estimate the costs and benefits of generated policies, without restrictive Markov assumptions. The performance of the algorithm is demonstrated in three experiments. In Experiment 1, a relatively small benchmark problem, the optimal policies were known. The algorithm approached the maximum feasible benefits with a relative difference of 0.007%. Experiment 2 optimized both intervals and cutoffs, Experiment 3 optimized cutoffs only. Optimal policies in both experiments are unknown. Compared to policies recently evaluated for the USPSTF, personalized screening increased health benefits up to 14 and 4.3%, for Experiments 2 and 3, respectively, without adding costs. Generated policies have several features concordant with current screening recommendations. The method presented in this paper is flexible and capable of optimizing personalized screening policies evaluated with computationally-intensive but established simulation models. It can be used to inform screening policies for CRC or other diseases. For CRC, more debate is needed on what features a policy needs to exhibit to make it suitable for implementation in practice.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1988

Thermal stress minimized, two component, turbine shroud seal

In a turbine machine, a two-component shroud seal which maximizes insulation and sealing around the rotating turbine blades, and is made by independently fabricating each of the two components then joining them together, is disclosed. The two components may be joined together at room temperature. The resulting shroud seal provides greater engine efficiency and thrust.

Handschuh, Robert F.↗
NASA NTRS1994

Unique strategies for technical information management at Johnson Space Center

In addition to the current NASA manned programs, the maturation of Space Station and the introduction of the Space Exploration programs are anticipated to add substantially to the number and variety of data and documentation at NASA Johnson Space Center (JSC). This growth in the next decade has been estimated at five to ten fold compared to the current numbers. There will be an increased requirement for the tracking and currency of space program data and documents with National pressures to realize economic benefits from the research and technological developments of space programs. From a global perspective the demand for NASA's technical data and documentation is anticipated to increase at local, national, and international levels. The primary users will be government, industry, and academia. In our present national strategy, NASA's research and technology will assume a great role in the revitalization of the economy and gaining international competitiveness. Thus, greater demand will be placed on NASA's data and documentation resources. In this paper the strategies and procedures developed by DDMS, Inc., to accommodate the present and future information utilization needs are presented. The DDMS, Inc., strategies and procedures rely on understanding user requirements, library management issues, and technological applications for acquiring, searching, storing, and retrieving specific information accurately and quickly. The proposed approach responds to changing customer requirements and product deliveries. The unique features of the proposed strategy include: (1) To establish customer driven data and documentation management through an innovative and unique methods to identify needs and requirements. (2) To implement a structured process which responds to user needs, aimed at minimizing costs and maximizing services, resulting in increased productivity. (3) To provide a process of standardization of services and procedures. This standardization is the central theme of the strategic approach. It will allow Division level Data and Documentation Libraries (DDL's) to function independently and optimize efficiency at the Directorate level. This process also facilitates interconnectivity between Division level DDL's and makes them transparent to the users. (4) To implement the process of 'cost savings', and at the same time the objective is to gain substantial improvement in the organization, categorization, and preservation of JSC-generated data and documentation, and (5) To find, locate, retrace, restore, and preserve the Center-generated crucial scientific and technical information that has been and is being provided by the engineers and scientists of JSC. This is important to the preservation of 'lessons learned'. Preliminary estimates of the possible cost savings which will result from the implementation of this process will also be discussed in this paper.

Krishen, Vijay↗
NASA NTRS2005

Bandwidth Efficient Modulation and Coding Techniques for NASA's Existing Ku/Ka-Band 225 MHz Wide Service

The National Aeronautics and Space Administration (NASA) has recently established the Tracking and Data Relay Satellite System (TDRSS) K-band Upgrade Project (TKUP), a project intended to enhance the TDRSS Ku-band and Ka-band Single Access Return 225 MHz (Ku/KaSAR-225) data service by adding the capability to process bandwidth efficient signal design and to replace the White Sand Complex (WSC) KSAR high data rate ground equipment and high rate switches which are nearing obsolescence. As a precursor to this project, a modulation and coding study was performed to identify signal structures which maximized the data rate through the Ku/KaSAR-225 channel, minimized the required customer EIRP and ensured acceptable hardware complexity on the customer platform. This paper presents the results and conclusions of the TKUP modulation and coding study.

Gioannini, Bryan↗
NASA NTRS2013

Experiment Description and Results for Arrival Operations Using Interval Management with Spacing to Parallel Dependent Runways (IMSPiDR)

The predicted increase in the number of commercial aircraft operations creates a need for improved operational efficiency. Two areas believed to offer increases in aircraft efficiency are optimized profile descents and dependent parallel runway operations. Using Flight deck Interval Management (FIM) software and procedures during these operations, flight crews can achieve by the runway threshold an interval assigned by air traffic control (ATC) behind the preceding aircraft that maximizes runway throughput while minimizing additional fuel consumption and pilot workload. This document describes an experiment where 24 pilots flew arrivals into the Dallas Fort-Worth terminal environment using one of three simulators at NASA?s Langley Research Center. Results indicate that pilots delivered their aircraft to the runway threshold within +/- 3.5 seconds of their assigned time interval, and reported low workload levels. In general, pilots found the FIM concept, procedures, speeds, and interface acceptable. Analysis of the time error and FIM speed changes as a function of arrival stream position suggest the spacing algorithm generates stable behavior while in the presence of continuous (wind) or impulse (offset) error. Concerns reported included multiple speed changes within a short time period, and an airspeed increase followed shortly by an airspeed decrease.

Baxley, Brian T.↗
NASA NTRS2016

Anthropomorphic Robot Design and User Interaction Associated with Motion

Though in its original concept a robot was conceived to have some human-like shape, most robots now in use have specific industrial purposes and do not closely resemble humans. Nevertheless, robots that resemble human form in some way have continued to be introduced. They are called anthropomorphic robots. The fact that the user interface to all robots is now highly mediated means that the form of the user interface is not necessarily connected to the robots form, human or otherwise. Consequently, the unique way the design of anthropomorphic robots affects their user interaction is through their general appearance and the way they move. These robots human-like appearance acts as a kind of generalized predictor that gives its operators, and those with whom they may directly work, the expectation that they will behave to some extent like a human. This expectation is especially prominent for interactions with social robots, which are built to enhance it. Often interaction with them may be mainly cognitive because they are not necessarily kinematically intricate enough for complex physical interaction. Their body movement, for example, may be limited to simple wheeled locomotion. An anthropomorphic robot with human form, however, can be kinematically complex and designed, for example, to reproduce the details of human limb, torso, and head movement. Because of the mediated nature of robot control, there remains in general no necessary connection between the specific form of user interface and the anthropomorphic form of the robot. But their anthropomorphic kinematics and dynamics imply that the impact of their design shows up in the way the robot moves. The central finding of this report is that the control of this motion is a basic design element through which the anthropomorphic form can affect user interaction. In particular, designers of anthropomorphic robots can take advantage of the inherent human-like movement to 1) improve the users direct manual control over robot limbs and body positions, 2) improve users ability to detect anomalous robot behavior which could signal malfunction, and 3) enable users to be better able to infer the intent of robot movement. These three benefits of anthropomorphic design are inherent implications of the anthropomorphic form but they need to be recognized by designers as part of anthropomorphic design and explicitly enhanced to maximize their beneficial impact. Examples of such enhancements are provided in this report. If implemented, these benefits of anthropomorphic design can help reduce the risk of Inadequate Design of Human and Automation Robotic Integration (HARI) associated with the HARI-01 gap by providing efficient and dexterous operator control over robots and by improving operator ability to detect malfunctions and understand the intention of robot movement.

automation/robotic integration↗
NASA NTRSDate not supplied

Cartesian Mesh Simulations for the Third AIAA Sonic Boom Prediction Workshop

Simulation results are presented for all cases from the Third AIAA Sonic Boom Prediction Workshop. An inviscid, embedded-boundary Cartesian-mesh flow solver is used in conjunction with adjoint-based mesh adaptation to compute nearfield pressure signatures. Specialized techniques are applied to maximize accuracy and minimize cost on Cartesian meshes. The Richardson-based error estimate highlights regions of the signatures most sensitive to mesh refinement. Timing results and coarse, medium, and fine mesh sizes for nearfield cases demonstrate that the parallel decomposition approach is efficient in both computational time and wall-clock. Pressure signals are propagated to the ground using an augmented Burgers’ equation solver to predict boom carpets. Ground signatures and loudness metrics are presented for a standard atmosphere as well as more realistic atmospheric profiles, which affect overall noise levels and can significantly widen the boom carpet. Mesh convergence studies show that high sampling frequencies, around 500 kHz, are required for propagation, and the sampling frequency increases at large off-track angles with longer acoustic ray paths and propagation times. The numerical methods yield accurate results for predicting low sonic boom signatures while being among the least computationally expensive of the workshop.

ARMD↗
DOE OSTI2021

High efficiency small molecule tandem photovoltaic devices

A high efficiency small molecule tandem solar cell is disclosed. The tandem cell may include a first subcell comprising a first photoactive region and a second subcell comprising a second photoactive region. The first and second photoactive regions are designed to minimize spectral overlap and maximize photocurrent. The device may further include an interconnecting layer, disposed between the first subcell and the second subcell, that is at least substantially transparent.

Forrest, Stephen R.↗
DOE OSTI2016

Innovative Commercialization Efforts Underway at the National Renewable Energy Laboratory

New clean energy and energy efficiency technology solutions hold the promise of significant reductions in energy consumption. However, proven barriers for these technologies, including the technological and commercialization valleys of death, result in promising technologies falling to the wayside. To address these gaps, NREL's Innovation & Entrepreneurship Center designs and manages advanced programs aimed at supporting the development and commercialization of early stage clean energy technologies with the goal of accelerating new technologies to market. These include: Innovation Incubator (IN2) in partnership with Wells Fargo: this technology incubator supports energy efficiency building-related startups to overcome market gaps by providing access to technical support at NREL; Small Business Voucher Pilot: this program offers paid vouchers for applicants to access a unique skill, capability, or facility at any of the 17 DOE National Laboratories to bring next-generation clean energy technologies to market; Energy Innovation Portal: NREL designed and developed the Energy Innovation Portal, providing access to EERE focused intellectual property available for licensing from all of the DOE National Laboratories; Lab-Corps: Lab-Corps aims to better train and empower national lab researchers to understand market drivers and successfully transition their discoveries into high-impact, real world technologies in the private sector; Incubatenergy Network: the Network provides nationwide coordination of clean energy business incubators, share best practices, support clean energy entrepreneurs, and help facilitate a smoother transition to a more sustainable clean energy economy; Industry Growth Forum: the Forum is the perfect venue for clean energy innovators to maximize their exposure to receptive capital and strategic partners. Since 2003, presenting companies have collectively raised more than $5 billion in growth financing.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Adaptive beamlet-based finite-size pencil beam dose calculation for independent verification of IMRT and VMAT

Purpose: The use of sophisticated dose calculation procedure in modern radiation therapy treatment planning is inevitable in order to account for complex treatment fields created by multileaf collimators (MLCs). As a consequence, independent volumetric dose verification is time consuming, which affects the efficiency of clinical workflow. In this study, the authors present an efficient adaptive beamlet-based finite-size pencil beam (AB-FSPB) dose calculation algorithm that minimizes the computational procedure while preserving the accuracy. Methods: The computational time of finite-size pencil beam (FSPB) algorithm is proportional to the number of infinitesimal and identical beamlets that constitute an arbitrary field shape. In AB-FSPB, dose distribution from each beamlet is mathematically modeled such that the sizes of beamlets to represent an arbitrary field shape no longer need to be infinitesimal nor identical. As a result, it is possible to represent an arbitrary field shape with combinations of different sized and minimal number of beamlets. In addition, the authors included the model parameters to consider MLC for its rounded edge and transmission. Results: Root mean square error (RMSE) between treatment planning system and conventional FSPB on a 10 × 10 cm{sup 2} square field using 10 × 10, 2.5 × 2.5, and 0.5 × 0.5 cm{sup 2} beamlet sizes were 4.90%, 3.19%, and 2.87%, respectively, compared with RMSE of 1.10%, 1.11%, and 1.14% for AB-FSPB. This finding holds true for a larger square field size of 25 × 25 cm{sup 2}, where RMSE for 25 × 25, 2.5 × 2.5, and 0.5 × 0.5 cm{sup 2} beamlet sizes were 5.41%, 4.76%, and 3.54% in FSPB, respectively, compared with RMSE of 0.86%, 0.83%, and 0.88% for AB-FSPB. It was found that AB-FSPB could successfully account for the MLC transmissions without major discrepancy. The algorithm was also graphical processing unit (GPU) compatible to maximize its computational speed. For an intensity modulated radiation therapy (∼12 segments) and a volumetric modulated arc therapy fields (∼90 control points) with a 3D grid size of 2.0 × 2.0 × 2.0 mm{sup 3}, dose was computed within 3–5 and 10–15 s timeframe, respectively. Conclusions: The authors have developed an efficient adaptive beamlet-based pencil beam dose calculation algorithm. The fast computation nature along with GPU compatibility has shown better performance than conventional FSPB. This enables the implementation of AB-FSPB in the clinical environment for independent volumetric dose verification.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Distributed-Memory Fast Maximal Independent Set

The Maximal Independent Set (MIS) graph problem arises in many applications such as computer vision, information theory, molecular biology, and process scheduling. The growing scale of MIS problems suggests the use of distributed-memory hardware as a cost-effective approach to providing necessary compute and memory resources. Luby proposed four randomized algorithms to solve the MIS problem. All those algorithms are designed focusing on shared-memory machines and are analyzed using the PRAM model. These algorithms do not have direct efficient distributed-memory implementations. In this paper, we extend two of Luby’s seminal MIS algorithms, “Luby(A)” and “Luby(B),” to distributed-memory execution, and we evaluate their performance. We compare our results with the “Filtered MIS” implementation in the Combinatorial BLAS library for two types of synthetic graph inputs.

distributed memory parallel↗
NASA NTRS2010

Capacity Maximizing Constellations

Some non-traditional signal constellations have been proposed for transmission of data over the Additive White Gaussian Noise (AWGN) channel using such channel-capacity-approaching codes as low-density parity-check (LDPC) or turbo codes. Computational simulations have shown performance gains of more than 1 dB over traditional constellations. These gains could be translated to bandwidth- efficient communications, variously, over longer distances, using less power, or using smaller antennas. The proposed constellations have been used in a bit-interleaved coded modulation system employing state-ofthe-art LDPC codes. In computational simulations, these constellations were shown to afford performance gains over traditional constellations as predicted by the gap between the parallel decoding capacity of the constellations and the Gaussian capacity

Barsoum, Maged↗
DOE OSTI2017

Learning reduced kinetic Monte Carlo models of complex chemistry from molecular dynamics

Here, we propose a novel statistical learning framework for automatically and efficiently building reduced kinetic Monte Carlo (KMC) models of large-scale elementary reaction networks from data generated by a single or few molecular dynamics simulations (MD). Existing approaches for identifying species and reactions from molecular dynamics typically use bond length and duration criteria, where bond duration is a fixed parameter motivated by an understanding of bond vibrational frequencies. Conversely, we show that for highly reactive systems, bond duration should be a model parameter that is chosen to maximize the predictive power of the resulting statistical model. We demonstrate our method on a high temperature, high pressure system of reacting liquid methane, and show that the learned KMC model is able to extrapolate more than an order of magnitude in time for key molecules. Additionally, our KMC model of elementary reactions enables us to isolate the most important set of reactions governing the behavior of key molecules found in the MD simulation. We develop a new data-driven algorithm to reduce the chemical reaction network which can be solved either as an integer program or efficiently using L1 regularization, and compare our results with simple count-based reduction. For our liquid methane system, we discover that rare reactions do not play a significant role in the system, and find that less than 7% of the approximately 2000 reactions observed from molecular dynamics are necessary to reproduce the molecular concentration over time of methane. Furthermore, we describe a framework in this work that paves the way towards a genomic approach to studying complex chemical systems, where expensive MD simulation data can be reused to contribute to an increasingly large and accurate genome of elementary reactions and rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Convective shells in the interior of Cepheid variable stars: Overshooting models based on hydrodynamic simulations

Context. Because Cepheid variable stars have long been used as a cosmic benchmark for scaling distances in our Galaxy and beyond, the accuracy of stellar evolution models for Cepheids have wide-reaching effects. However, our understanding of the dynamics in the interiors of these physically complex stars is limited. Aims. Our goal is to provide a detailed multi-dimensional picture of hydrodynamic convection and convective boundary mixing in the interior of Cepheids. Methods. Using the Modules for Experiments in Stellar Astrophysics (MESA), we studied the structure of intermediate-mass stars that cross the instability strip. Then, we performed two-dimensional hydrodynamic simulations of six stars with the fully compressible Multidimensional Stellar Implicit Code (MUSIC). Our simulations did not model the radial pulsations but focused on the interior structure of this family of stars. We developed and applied a new statistical analysis to examine convection and convective boundary mixing in the interior of these stellar simulations. Results. Based on a grid of MESA models, we demonstrated that a common structure for intermediate mass Cepheids includes an interior convective shell as well as a thin outer convective envelope. Using the extreme value theory approach to analyze our MUSIC simulation data, we found that overshooting above the convective shell fills the space between these convectively unstable layers. We developed a new statistical analysis that provides a clearer picture of how overshooting fills this layer; it also allowed us to formulate a detailed comparison between overshooting above and below the convective shell. Our analysis effectively decomposes the overshooting layer into two layers: a weak overshooting layer and a strong overshooting layer. Statistically, this is accomplished by decomposing the strongly non-Gaussian probability density function into a mixture of gamma distributions. Using our mixture model, we showed that the ratio of overshooting lengths above and below the convective shell depends directly on the radial extent of the convective shell as well as its depth in the star. We proposed a new form for the diffusion coefficient that addresses the need for overlapping overshooting layers between convective shells. We introduced the idea of a “super-mixing layer” where overshooting from both the convective shell and the convective envelope results in efficient mixing and could be viewed as merging the two adjacent convective zones.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings

The problem of numerically evaluating absorption correction factors for cylindrical samples has been revisited using a treatment that fully takes advantage of the sample symmetry. It is shown that the path lengths for all points within the sample at all possible diffraction angles can be trivially determined once the angle-dependent distance distribution for a single line of points is calculated. This provides advantages in both computational efficiency and in gaining an intuitive understanding of the effects of absorption on diffraction data. A matrix of absorption coefficients calculated for µR products between 0 and 20 for diffraction angles θ D of 0° to 90° were used to examine the influence of (1) capillary diameter and of (2) sample density on the overall scattered intensity as a function of diffraction angle, where µ is the linear absorption coefficient for the sample and R is the capillary radius. Based on this analysis, the optimal sample loading for a capillary experiment to maximize diffraction at angles of 0 – 50° is in general expected to be achieved when the maximum radius capillary compatible with the beam is used, and when the sample density is adjusted to be 3/(4µR) of its original density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗