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At least 163 records · Page 9

Renormalization of excitonic properties by polar phonons

Here we employ quasiparticle path integral molecular dynamics to study how the excitonic properties of model semiconductors are altered by electron–phonon coupling. We describe ways within a path integral representation of the system to evaluate the renormalized mass, binding energy, and radiative recombination rate of excitons in the presence of a fluctuating lattice. To illustrate this approach, we consider Fröhlich-type electron–phonon interactions and employ an imaginary time influence functional to incorporate phonon-induced effects nonperturbatively. The effective mass and binding energies are compared with perturbative and variational approaches, which provide qualitatively consistent trends. We evaluate electron-hole recombination rates as mediated through both trap-assisted and bimolecular processes, developing a consistent statistical mechanical approach valid in the reaction limited regime. These calculations demonstrate how phonons screen electron–hole interactions, generically reducing exciton binding energies and increasing their radiative lifetimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Go-Around Criteria Refinement for Transport Category Aircraft

Presently, airline pilots are trained to go around if, when lower than 500 ft above the ground, they are outside of a handful of parameters such as airspeed, position, and rate of descent. At times, pilots do not comply with these criteria, perhaps owing to their conservative nature or complexity. This paper examines potential refinements to the continue-to-land decision from the combined results of three flight simulator experiments. Potential refinements include simplifying the number of parameters and lowering the altitude at which pilots make the decision. First, refinements were developed by evaluating pilots’ touchdown performance and qualitative data in a variety of starting and environmental conditions. Second, 30 of those pilots evaluated the refinements under several induced instabilities during the approach. The results showed little difference in touchdown performance when lowering the decision altitude from 500 to 300 ft; however, significant differences arose when the decision altitude was lowered further to 100 ft. The proposed new criteria include assessments of deviations in airspeed and position, no rate-of-descent audio warning, and having an appropriate engine setting at 1000, 500, and 300 ft height above threshold. Additionally, a recommendation is made that if the proposed criteria are not met at the 1000 or 500 ft height above threshold the pilots may make corrections and continue the approach; however, if the criteria are not met at 300 ft, then a go-around should be performed.

stabilized approach criteria↗

An evaluation of a real-time fault diagnosis expert system for aircraft applications

A fault monitoring and diagnosis expert system called Faultfinder was conceived and developed to detect and diagnose in-flight failures in an aircraft. Faultfinder is an automated intelligent aid whose purpose is to assist the flight crew in fault monitoring, fault diagnosis, and recovery planning. The present implementation of this concept performs monitoring and diagnosis for a generic aircraft's propulsion and hydraulic subsystems. This implementation is capable of detecting and diagnosing failures of known and unknown (i.e., unforseeable) type in a real-time environment. Faultfinder uses both rule-based and model-based reasoning strategies which operate on causal, temporal, and qualitative information. A preliminary evaluation is made of the diagnostic concepts implemented in Faultfinder. The evaluation used actual aircraft accident and incident cases which were simulated to assess the effectiveness of Faultfinder in detecting and diagnosing failures. Results of this evaluation, together with the description of the current Faultfinder implementation, are presented.

Schutte, Paul C.↗

Observations Regarding Commonly Available Materials for Face Shield Emulated-Personal Protective Equipment

The Center for Disease Control has recommended that to reduce potential exposure to COVID-19 the public should wear cloth face coverings in public settings where other social distancing measures are difficult to maintain. These face coverings and other Emulated-Personal Protective Equipment (E-PPE) can be made by using Commonly Available Materials (CAMs). As E-PPE recommendations continue to flood the media, a Sandia COVID-19 LDRD effort, the Sandia E-PiPEline Team, systematically evaluated E-PPE design options considering their effectiveness, durability, build difficulty, build cost, and comfort. Using qualitative and semi-quantitative evaluation tools, results of the investigation are presented here to provide guidelines for home and office construction of E-PPE.

36 MATERIALS SCIENCE↗

Observations Regarding Commonly Available Materials for Face Covering Emulated-Personal Protective Equipment

The Center for Disease Control has recommended that to reduce potential exposure to COVID-19 the public should wear cloth face coverings in public settings where other social distancing measures are difficult to maintain. These face coverings and other Emulated-Personal Protective Equipment (E-PPE) can be made by using Commonly Available Materials (CAMs). As E-PPE recommendations continue to flood the media, a Sandia COVID-19 LDRD effort, the Sandia E-PiPEline Team, systematically evaluated E-PPE design options considering their effectiveness, durability, build difficulty, build cost, and comfort. Using qualitative and semi-quantitative evaluation tools, results of the investigation are presented here to provide guidelines for home and office construction of E-PPE.

36 MATERIALS SCIENCE↗

The reactive flow evolution of the polymer-bonded explosive PBX 9502: Experiments and model validation in extreme pressure regimes

The shock-to-detonation transition properties of the triaminotrinitrobenzene based PBX 9502 high explosive (HE) are experimentally and computationally explored in extremely high input pressure conditions. These include both slightly sub-Chapman–Jouguet and overdriven input pressure conditions, namely, ∼25 and ∼31 GPa, respectively. Our experiments capture the transient buildup of a shock-induced reaction via measurement of HE and polymethyl methacrylate window interface particle velocity profiles for a variety of sample thicknesses for this insensitive HE. These observations necessitate extremely thin explosive samples, and the high rates of reaction provide a considerable challenge to optical diagnostics. Samples at these thicknesses also provide an opportunity for evaluation of potential micro-structure effects on the resulting shock-to-detonation-transition measurements. To address this, the thin samples are also characterized via x-ray micro-computed tomography. Finally, a pair of previously established continuum-level detonation performance modeling approaches for PBX 9502 were used to analyze the experiments. The employed model variants crucially differ in their definition of each model’s empirical reaction rate functional form, utilization of shock state quantities, and local flow variable dependencies. As a result, the present experiments provide a novel platform to evaluate the quantitative and qualitative consequences stemming from these modeling choices in a challenging initiation scenario, largely beyond the chosen calibration range of either model. This new experimental information will provide a platform for both improved physics and model parameterizations for this well-studied explosive.

36 MATERIALS SCIENCE↗

Visual Analytics of Multivariate Networks With Representation Learning and Composite Variable Construction

Multivariate networks are commonly found in real-world data-driven applications. Uncovering and understanding the relations of interest in multivariate networks is not a trivial task. This article presents a visual analytics workflow for studying multivariate networks to extract associations between different structural and semantic characteristics of the networks (e.g., what are the combinations of attributes largely relating to the density of a social network?). The workflow consists of a neural-network-based learning phase to classify the data based on the chosen input and output attributes, a dimensionality reduction and optimization phase to produce a simplified set of results for examination, and finally an interpreting phase conducted by the user through an interactive visualization interface. A key part of our design is a composite variable construction step that remodels nonlinear features obtained by neural networks into linear features that are intuitive to interpret. We demonstrate the capabilities of this workflow with multiple case studies on networks derived from social media usage and also evaluate the workflow with qualitative feedback from experts.

97 MATHEMATICS AND COMPUTING↗

Safety Functions and Features, Events and Processes for the E-Area Performance Assessment

The DOE Technical Standard, “Disposal Authorization Statement and Tank Closure Documentation,” (DOE 2017) recommends the use of safety functions and features, events and processes (FEPs) to support development of conceptual models and identification of scenarios to be considered in a performance assessment (PA). The FEP process provides a means to describe how a PA considers and addresses the factors that could influence the performance of key barriers. Understanding the roles of barriers in terms of limiting migration helps to focus on how changes in the system could lead to a situation where those roles cannot be fulfilled and there is the potential for compromised performance. The FEPs screening and review process was used to identify FEPs that are relevant for the EArea Low-Level Waste Facility (LLWF) and specifically those FEPs that could have a detrimental impact on the effectiveness of a given safety function. For this PA, a default list of FEPs developed at the International Atomic Energy Agency (IAEA 2004) and an approach implemented for PAs at the Hanford and Idaho sites (Mehta et al. 2016, DOE-ID 2019) are used to identify processes and events that could influence the effectiveness of a given safety function for the E-Area LLWF (e.g., subsidence can impact the safety function of the cover system and lead to increased infiltration). The Hanford and Idaho PAs represent two of the most recent applications of this approach. The PA evaluates the potential impacts of changes in performance of different features of the system and demonstrates that the safety functions represent multiple and redundant barriers. Barrier analyses, assuming a safety function is not present, also test the robustness of the system in the event of the loss of one or more safety functions. Such evaluations also support a qualitative illustration of the concept of defense in depth. The safety concept for closure of the E-Area LLWF (generically referred to as “E-Area”) encompasses a variety of different features (i.e., administrative controls, natural site features, and engineered barriers) that reduce the potential impacts on human health and the environment from the residual waste that will remain after closure. These features can be represented as a collection of safety functions acting independently and as a system to provide for overall safety. In some applications, there have been attempts to assign numerical expectations to specific safety functions, but that is not the intent in this case. The concept of safety functions is used more qualitatively in two ways for this PA: 1. To illustrate the robustness of the E-Area design, operational practices and closure approach by documenting features that are and are not credited in different modeling cases. 2. To identify the roles of the different features and potential processes and events that could compromise the performance of safety features and need to be considered when developing the modeling approach. This report addresses both safety functions and FEPs for the E-Area PA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Dispersion Validation for Flow Involving a Large Structure Revisited: 45 Degree Rotation

The atmospheric dispersion of contaminants in the wake of a large urban structure is a challenging fluid mechanics problem of interest to the scientific and engineering communities. Magnetic Resonance Velocimetry (MRV) and Magnetic Resonance Concentration (MRC) are relatively new techniques that leverage diagnostic equipment used primarily by the medical field to make 3D engineering measurements of flow and contaminant dispersal. SIERRA/Fuego, a computational fluid dynamics (CFD) code at Sandia National Labs is employed to make detailed comparisons to the dataset to evaluate the quantitative and qualitative accuracy of the model. This work is the second in a series of scenarios. In the prior work, a single large building in an array of similar buildings was considered with the wind perpendicular to a building face. In this work, the geometry is rotated by 45 degrees and improved studies are performed for simulation credibility. The comparison exercise shows conditionally good comparisons between the model and experiment. Model uncertainties are assessed through parametric variations. Various methods of quantifying the accuracy between experiments and data are examined Three-dimensional analysis of accuracy is performed. The effort helped identify deficiencies in the techniques used to make these comparisons, and further methods development therefore becomes one of the main recommendations for follow-on work.

42 ENGINEERING↗

Products of combustion of non-metallic materials

The objective of this project is to evaluate methodologies for the qualitative and quantitative determination of the gaseous products of combustion of non-metallic materials of interest to the aerospace community. The goal is to develop instrumentation and analysis procedures which qualitatively and quantitatively identify gaseous products evolved by thermal decomposition and provide NASA a detailed system operating procedure.

Perry, Cortes L.↗

Impact and Penetration Simulations for Composite Wing-like Structures

The goal of this research project was to develop methodologies for the analysis of wing-like structures subjected to impact loadings. Low-speed impact causing either no damage or only minimal damage and high-speed impact causing severe laminate damage and possible penetration of the structure were to be considered during this research effort. To address this goal, an assessment of current analytical tools for impact analysis was performed. Assessment of the analytical tools for impact and penetration simulations with regard to accuracy, modeling, and damage modeling was considered as well as robustness, efficient, and usage in a wing design environment. Following a qualitative assessment, selected quantitative evaluations will be performed using the leading simulation tools. Based on this assessment, future research thrusts for impact and penetration simulation of composite wing-like structures were identified.

Knight, Norman F.↗

Wing Leading Edge Concepts for Noise Reduction

This study focuses on the development of wing leading edge concepts for noise reduction during high-lift operations, without compromising landing stall speeds, stall characteristics or cruise performance. High-lift geometries, which can be obtained by conventional mechanical systems or morphing structures have been considered. A systematic aerodynamic analysis procedure was used to arrive at several promising configurations. The aerodynamic design of new wing leading edge shapes is obtained from a robust Computational Fluid Dynamics procedure. Acoustic benefits are qualitatively established through the evaluation of the computed flow fields.

Shmilovich, Arvin↗

A Patch Density Recommendation based on Convergence Studies for Vehicle Panel Vibration Response resulting from Excitation by a Diffuse Acoustic Field

Fluid structural interaction problems that estimate panel vibration from an applied pressure field excitation are quite dependent on the spatial correlation of the pressure field. There is a danger of either over estimating a low frequency response or under predicting broad band panel response in the more modally dense bands if the pressure field spatial correlation is not accounted for adequately. Even when the analyst elects to use a fitted function for the spatial correlation an error may be introduced if the choice of patch density is not fine enough to represent the more continuous spatial correlation function throughout the intended frequency range of interest. Both qualitative and quantitative illustrations evaluating the adequacy of different patch density assumptions to approximate the fitted spatial correlation function are provided. The actual response of a typical vehicle panel system is then evaluated in a convergence study where the patch density assumptions are varied over the same finite element model. The convergence study results are presented illustrating the impact resulting from a poor choice of patch density. The fitted correlation function used in this study represents a Diffuse Acoustic Field (DAF) excitation of the panel to produce vibration response.

Smith, Andrew↗

Parallel Anisotropic Unstructured Grid Adaptation

Computational Fluid Dynamics (CFD) has become critical to the design and analysis of aerospace vehicles. Parallel grid adaptation that resolves multiple scales with anisotropy is identified as one of the challenges in the CFD Vision 2030 Study to increase the capacity and capability of CFD simulation. The Study also cautions that computer architectures are undergoing a radical change and dramatic increases in algorithm concurrency will be required to exploit full performance. This paper reviews four different methods to parallel anisotropic grid generation. They cover both ends of the spectrum: (i) using existing state-of-the-art software optimized for a single core and modifying it for parallel platforms and (ii) designing and implementing scalable software with incomplete, but rapidly maturating functionality. A brief overview for each grid adaptation system is presented in the context of a telescopic approach for multilevel concurrency. These methods employ different approaches to enable parallel execution, which provides a unique opportunity to illustrate the relative behavior of each approach. Qualitative and quantitative metric evaluations are used to draw lessons for future developments in this critical area for parallel CFD simulation.

Tsolakis, Christos↗

FUN3D Mesh Adaptation Simulations of 4th AIAA High-Lift Prediction Workshop Case 1a

This paper describes in detail the FUN3D Mesh adaptation simulation results for Case 1a of the 4th AIAA High-Lift Prediction Workshop (HLPW-4). The Stabilized Finite Element library with FUN3D is used along with the Negative Spalart-Allmaras One-Equation Model to simulate fully turbulent free-air flow around the High Lift version of the Common Research Model at three flap settings. Meshes are adapted using multi-scale and goal-oriented metrics. The results are presented and the discussion focuses on the predicted differences between the three flap settings. Coefficients of lift, drag, and pitching moment are predicted within 7% of values measured in the QinetiQ 5m Wind Tunnel at each flap setting. Predicted surface pressures and skin friction distributions show inconsistent discrepancies with measurements across the flap settings. Consequently, flap increments for these figures of merit are not well predicted. These predictions are consistent with submissions to the HLPW-4 from other RANS-SA methods. Visualizations of Liutex vortex cores colored by angular velocity are presented as possible new quantitative and qualitative perspective for solution evaluation.

High-Lift Prediction Workshop↗

The Technical, Economic, Risk, and Adoption Assessment for Evaluating Work Reduction Opportunities in the Nuclear Industry

Automation and cost-saving initiatives, such as process automation with advances in artificial intelligence, are gaining traction in modernization efforts across the nuclear industry. As these innovations are increasingly adopted, it becomes crucial to evaluate their impacts comprehensively. Various technical and economic attributes, along with risk and human readiness factors, must be achieved to ensure that innovative projects enabling automation and modernization are successful. However, no systematic or integrated framework exists that allows plants to evaluate these innovative projects. To address this gap, the Technical, Economic, Risk, and Adoption (TERA) assessment offers a structured method to evaluate innovative technologies, ensuring solutions meet both operational and safety standards. The TERA framework integrates the disparate perspectives to assess modernization opportunities in nuclear operations. It combines qualitative and quantitative models to evaluate the relationship between performance and business impacts, while also enabling continuous re-evaluation during project development. This approach helps plant owners identify high-priority opportunities, optimize cost savings, and minimize risks, ensuring projects remain on track to achieve desired returns. By providing a comprehensive, systematic methodology, TERA enables informed, data-driven decisions that support successful modernization efforts, enhancing efficiency, safety, and cost savings across nuclear operations. This paper explains the TERA framework and its benefits for the nuclear industry.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

A Visual Technique for Determining Qualitative Aerodynamic Heating Rates on Complex Configurations

An experimental investigation was conducted at a test-section Mach number of 4.95 and a stagnation temperature of 400 F to evaluate a visual technique for obtaining qualitative aerodynamic heat-transfer data on complex configurations.This technique utilized a temperature-sensetive paint indicated that this technique was satisfactory for determining qualitative heat-transfer rates on various bodies, some of which exhibited complex flow patterns. The results obtained have been found useful to guide the instrumentation of quantitative heat-transfer models, to supplement quantitative heat-transfer measurements, and to make preliminary heat-transfer studies for new configurations.

P. Calvin Stainback↗

Evaluating the dynamic response of in-flight thrust calculation techniques during throttle transients

New flight test maneuvers and analysis techniques for evaluating the dynamic response of in-flight thrust models during throttle transients have been developed and validated. The approach is based on the aircraft and engine performance relationship between thrust and drag. Two flight test maneuvers, a throttle step and a throttle frequency sweep, were developed and used in the study. Graphical analysis techniques, including a frequency domain analysis method, were also developed and evaluated. They provide quantitative and qualitative results. Four thrust calculation methods were used to demonstrate and validate the test technique. Flight test applications on two high-performance aircraft confirmed the test methods as valid and accurate. These maneuvers and analysis techniques were easy to implement and use. Flight test results indicate the analysis techniques can identify the combined effects of model error and instrumentation response limitations on the calculated thrust value. The methods developed in this report provide an accurate approach for evaluating, validating, or comparing thrust calculation methods for dynamic flight applications.

Ray, Ronald J.↗