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Object Oriented Modeling and Design

The Object Oriented Modeling and Design seminar is intended for software professionals and students, it covers the concepts and a language-independent graphical notation that can be used to analyze problem requirements, and design a solution to the problem. The seminar discusses the three kinds of object-oriented models class, state, and interaction. The class model represents the static structure of a system, the state model describes the aspects of a system that change over time as well as control behavior and the interaction model describes how objects collaborate to achieve overall results. Existing knowledge of object oriented programming may benefit the learning of modeling and good design. Specific expectations are: Create a class model, Read, recognize, and describe a class model, Describe association and link, Show abstract classes used with multiple inheritance, Explain metadata, reification and constraints, Group classes into a package, Read, recognize, and describe a state model, Explain states and transitions, Read, recognize, and describe interaction model, Explain Use cases and use case relationships, Show concurrency in activity diagram, Object interactions in sequence diagram.

Shaykhian, Gholam Ali↗

Relating Linear and Volumetric Variables Through Body Scanning to Improve Human Interfaces in Space

Designing space suits and vehicles for the diverse human population present unique challenges for the methods of traditional anthropometry. Space suits are bulky and allow the operator to shift position within the suit and inhibit the ability to identify body landmarks. Limited suit sizing options also cause variability in fit and performance between similarly sized individuals. Space vehicles are restrictive in volume in both the fit and the ability to collect data. NASA's Anthropometric and Biomechanics Facility (ABF) has utilized 3D scanning to shift from traditional linear anthropometry to explore and examine volumetric capabilities to provide anthropometric solutions for design. Overall, the key goals are to improve the human-system performance and develop new processes to aid in the design and evaluation of space systems. Four case studies are presented that illustrate the shift from purely linear analyses to an augmented volumetric toolset to predict and analyze the human within the space suit and vehicle. The first case study involves the calculation of maximal head volume to estimate total free volume in the helmet for proper air exchange. Traditional linear measurements resulted in an inaccurate representation of the head shape, yet limited data exists for the determination of a large head volume. Steps were first taken to identify and classify a maximum head volume and the resulting comparisons to the estimate are presented in this paper. This study illustrates the gap between linear components of anthropometry and the need for overall volume metrics in order to provide solutions. A second case study examines the overlay of the space suit scans and components onto scanned individuals to quantify fit and clearance to aid in sizing the suit to the individual. Restrictions in space suit size availability present unique challenges to optimally fit the individual within a limited sizing range while maintaining performance. Quantification of the clearance and fit between similarly sized individuals is critical in providing a greater understanding of the human body's function within the suit. The third case study presented in this paper explores the development of a conformal seat pan using scanning techniques, and details the challenges of volumetric analyses that were overcome in order to develop a universal seat pan that can be utilized across the entire user population. The final case study explores expanding volumetric capabilities through generation of boundary manikins. Boundary manikins are representative individuals from the population of interest that represent the extremes of the population spectrum. The ABF developed a technique to take three-dimensional scans of individuals and manipulate the scans to reflect the boundary manikins' anthropometry. In essence, this process generates a representative three-dimensional scan of an individual from anthropometry, using another individual's scanned image. The results from this process can be used in design process modeling and initial suit sizing work as a three dimensional, realistic example of individuals from the population, maintaining the variability between and correlation to the relevant dimensions of interest.

Margerum, Sarah E.↗

Automation of Vulnerability and Patch Management: Information Extraction, Association, and Optimization

Vulnerability and patch management is an integral part of a robust cybersecurity program, yet it grows increasingly complex due to the sheer amount of data that must be analyzed. Particularly in Operational Technology (OT) environments, analysis must be done manually because of the lack of automated solutions. Additionally, there are many steps in this process, from the initial discovery of the vulnerability to the implementation of its remediation, and each step in the process requires different data in order to be performed effectively. In this work, we provide approaches and strategies to assist operators in industrial or OT environments throughout the vulnerability management cycle. Security advisories provide key information about mitigation strategies, or actions that can be taken when a patch is unavailable or cannot be installed. Details of these strategies are not shared in public vulnerability databases and must be found manually. We approach this problem by designing a solution to automatically identify that information within vendor security advisories and retrieve it for operator use. We start with an approach that requires domain-specific knowledge of certain frequently-seen reference websites. Next, an approach that can work on an arbitrary website but relies on certain keywords. Finally, an approach that uses Natural Language Processing (NLP) methods and does not require specific knowledge or keywords. Each of these approaches is more general than its predecessor; we demonstrate high accuracy for all approaches Advisories also often contain details of affected products in non-standard or natural language formats. While this information can be easily understood when read by an operator, the non-standard format acts as a barrier to effective automation. We provide an approach for the first step in this process: identifying vendors in security advisories and mapping them to a standard framework for representing digital assets and software products. We evaluate five established string similarity algorithms, plus one of our own design that combines string similarity and information theory, on the task of mapping vendors to their corresponding entries in the Common Platform Enumeration (CPE) repository. Our results show that our proposed metric outperforms all others. Due to the constraints on time, finances, and personnel for organizations, Large Language Models (LLMs) may seem like attractive opportunities for security operators to speed up information gathering; however, it is still not clear whether LLMs can handle vulnerability management tasks well. To answer this question, we perform an empirical study of LLMs’ ability to provide consistent, accurate information about vulnerabilities in order to guide organizations in their adoption of LLMs. We observe poor performance for all models tested, suggesting that these models are not well-suited to the consistent retrieval of accurate vulnerability information. Finally, once vulnerabilities have been identified and any additional information has been obtained, operators must decide which remediation actions to implement based on their available resources. This already-complex problem becomes even more so when we consider that a vulnerability may have multiple avenues for remediation. We formulate this scenario as two knapsack problems and provide solutions, which we then compare against several existing strategies for vulnerability prioritization seen in real operational environments.

McClanahan, Kylie↗

Solving Two-Equation Turbulence Models With a Perspective on Solving Transport Equations

There are three principal objectives of this report. The first objective is to investigate frequently used two-equation models when solving the RANS equations. In this study, we consider the 2006Wilcox and the 2003 Menter Shear Stress Transport (SST) models. Also, a simple change of the Wilcox model is introduced to improve computational predictions for transonic flows. Computations for flows over two different airfoils are examined to compare these turbulence models. Effects on modeling the physics of each flow due to variations in the models, such as using either strainrate or vorticity in the turbulence production term, are considered and discussed. The second objective of this report is to not only explore but also evaluate the performance of the solution algorithm for the mean flow and the transport equations. The RANS and turbulence modeling equations aresolved in a weakly coupled manner with a diagonal implicit Runge-Kutta (DIRK) solution algorithm. Throughout this report, emphasis is given to reducing the residuals to machine zero in all flow calculations, so as to eliminate the error due to numerical integration of the discrete governing equations. The final objective is to provide a perspective on solving transport equations for turbulence modeling. Aspects of solving such stiff systems of equations, as well as various numerical difficulties and possible techniques to overcome them, are considered. Discussion is also provided concerning what is called ’numerical compatibility’, which is an essential requirement when designing a solution algorithm for solving transport equations.

turbulence modeling↗

Developing a new ethylene glycol/H 2 O pretreatment system to achieve efficient enzymatic hydrolysis of sugarcane bagasse cellulose and recover highly active lignin: Countercurrent extraction

Improving pretreatment efficiency is a critical premise in achieving efficient biomass conversion, and obtaining high-performance natural polymers is the guarantee of high-value conversion of biomass. Here, in this study, a new pilot-scale continuous countercurrent pretreatment reaction unit about ethylene glycol-alkali solution was designed for pretreating sugarcane bagasse in order to achieve efficient separation of the three major components of lignocellulose when expanding the scale of pretreatment, reduce lignin deposition on the fiber surface, and obtain highly active lignin and excellent enzymatic hydrolysis efficiency of cellulose. X-ray diffractometer (XRD), X-ray photoelectron spectrometer (XPS), brunauer-emmett-teller (BET) and scanning electron microscope (SEM) methods are used to analyze the structural properties of sugarcane bagasse before and after pretreatment, and high-performance liquid chromatography (HPLC) is used to analyze the monosaccharide components in the enzymatic solution. In addition, the structural properties of the recovered lignin are analyzed by gel permeation chromatography (GPC), 31 P NMR and 2D-HSQC-NMR methods. The results indicate that the system can gain a high cellulose recovery of 92.99% along with a lignin removal of 95.33%, and recovered lignin has low lignin carbohydrate complexes, low condensation, and rich in phenolic hydroxyl groups for 1.95 mmol/g. Meanwhile, the countercurrent pretreatment system can effectively reduce the deposition of lignin on the cellulose surface, which is evidently superior to the non-countercurrent pretreatment and facilitates the efficiency of enzymatic saccharification of substrate, achieving a high glucose yield of 99% as well as a total sugar yield of 91.11%. The method efficiently separates biomass in a green manner, and solid residues are easily hydrolyzed, showing potential for industrial-scale production.

09 BIOMASS FUELS↗

Transforming Public Housing with Deep Energy Retrofits

Open Market ESCO’s (OME) Transforming Public Housing through Deep Energy Retrofits project demonstrated new design and financing solutions for implementing deep energy retrofits (DERs) in occupied low-income multifamily housing. The Project performed an integrated project delivery process, including designing low-carbon retrofit solution packages, construction pricing, and financing. The Project developed a constructible and financeable DER scope for a 102-unit extremely low-income multifamily property in Boston. This Project demonstrated a replicable approach for streamlining and implementing DER projects in occupied housing, including real solutions for overcoming design complexities and cost barriers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

A systematic approach to advanced cockpit warning systems for air transport operations: Line pilot preferences

Line pilots (fifty captains, first officers, and flight engineers) from 8 different airlines were administered a structured questionnaire relating to future warning system design and solutions to current warning system problems. This was followed by a semantic differential to obtain a factor analysis of 18 different cockpit warning signals on scales such as informative/distracting, annoying/soothing. Half the pilots received a demonstration of the experimental text and voice synthesizer warning systems before answering the questionnaire and the semantic differential. A control group answered the questionnaire and the semantic differential first, thus providing a check for the stability of pilot preferences with and without actual exposure to experimental systems. Generally, the preference data obtained revealed much consistency and strong agreement among line pilots concerning advance cockpit warning system design.

Williams, D. H.↗

Open Innovation for a NASA Architecture Library

NASA’s Center of Excellence for Collaborative Innovation (CoECI) uses open innovation, or “crowdsourcing”, to access the global public to find ideas, concepts, designs, or solutions that meet a previously unmet need possibly resulting in significant advances in performance. The Center of Excellence for Collaborative Innovation was launched at the request of the White House Office of Science and Technology Policy. This is both a non-traditional method of innovation and a non-traditional method of outreach to the public to involve them in space technologies and programs. It has been used often for software development and new hardware technology. In this case we applied it to innovate with systems engineering tools for creating space architectures. The challenge was sponsored by NASA Engineering and Safety Center Systems Engineering Technical Fellow as part of a program for NASA’s adoption of MBSE. It was a trial to see if there would be as much participation or quality submissions with this more specialized topic and skill. The challenge sought space architecture representations and decompositions to create a library of modeled parts in a system modeling language (SysML). Mission architects mostly start from scratch to build model elements representing the functional and physical architecture of a system in SysML. There are a few beginning libraries, but these are also local to a program or group. A common library will save system engineers a large amount of time, will allow project stakeholders to recognize common graphics and quickly understand the architecture options. The challenge was promoted internationally, especially through professional organizations and universities with a systems engineering focus. It was open for 4 months, purposefully over the winter holiday break time to allow participants extra time outside of work or school. The challenge was designed so that expertise in space hardware was not necessary but getting to play with models of space architecture could provide motivation to participate. We did not receive as many entries as other broader outreach challenges, but the ones we received were extremely thorough and high quality. Solutions came from individuals and teams, students and professional consultants from the United States and Europe. We learned a few lessons about how to engage with the public and what characteristics of a problem result in good crowdsourcing results. The outreach challenge produced several useful ideas and modeled space elements, and the group will be engaging the winners to learn more about their new approaches.

innovation↗

Strong, Nonresonant Radiation Enhances Cis–Trans Photoisomerization of Stilbene in Solution

Previously, it has been demonstrated that external electric fields may be used to exert control over chemical reactivity. In this paper, the impact of a strong, nonresonant IR field (1064 nm) on the photoisomerization of cis-stilbene is investigated in cyclohexane solution. The design of a suitable reaction vessel for characterization of this effect is presented. The electric field supplied by the pulsed, near-IR radiation (ε 1 = 4.5 × 10 7 V/cm) enhances the cis → trans photoisomerization yield at the red edge of the absorption spectrum (wavelengths between 337 and 340 nm). Within the microliter focal volume, up to 75% of all cis-stilbene molecules undergo isomerization to trans-stilbene in the strong electric-field environment, indicating a significant increase relative to the 35% yield of trans-stilbene under field-free conditions. This result correlates with a 1–3% enhancement in the trans-stilbene concentration throughout the bulk solution. Theoretical analysis suggests that the observed change is the result of dynamic Stark shifting of the ground and first excited states, leading to a significant redshift in cis-stilbene’s absorption spectrum. The predicted increase in the absorption cross section in this range of excitation wavelengths is qualitatively consistent with the experimental increase in trans-stilbene production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A recirculating hydroponic system for studying peanut (Arachis hypogaea L.)

Peanut (Arachis hypogaea L.) plants were grown hydroponically, using continuously recirculating nutrient solution. Two culture tray designs were tested; one tray design used only nutrient solution, while the other used a sphagnum-filled pod development compartment just beneath the cover and above the nutrient solution. Both trays were fitted with slotted covers to allow developing gynophores to reach the root zone. Peanut seed yields averaged 350 gm-2 dry mass, regardless of tray design, suggesting that substrate is not required for hydroponic peanut production.

NASA Center KSC↗

WMLES for the Fifth High-Lift PredictionWorkshop Cases Using FUN3D

This paper presents solution assessments and grid convergence studies for the test cases outlined in the Fifth High-Lift Prediction Workshop (HLPW-5), focusing on the high-lift Common Research Models (CRM-HL). The study utilizes a wall-modeled large-eddy simulation (WMLES) methodology developed in the unstructured-grid, node-centered flow solver FUN3D. The second-order accurate simulations conducted in this study utilize a finite-volume spatial discretization and an implicit temporal scheme. Large-scale turbulent features are resolved away from the wall, with small-scale effects captured by the Vreman subgrid-scale model. An equilibrium wall function uses the first grid point off the wall serving as the critical interface between the wall model and the large-eddy simulation region, thus requiring careful placement in grid design. WMLES solutions are assessed for HLPW-5 cases, including a clean wing-body configuration and geometry-buildup configurations corresponding to the 5.1\% ONERA CRM-HL model. Grid-convergence studies are systematically conducted using uniformly refined grids. Moreover, simulation results and grid sensitivity are presented for the NASA 5.2\% CRM-HL configuration at both moderate and flight-scale Reynolds numbers. Overall, WMLES results are satisfactory and agree well with available experimental data, especially on sufficiently fine grids.

high-lift aerodynamics↗

Mid–height seismic isolation of equipment in nuclear power plants

An innovative seismic isolation solution for designers of safety-class equipment in advanced nuclear power plants is introduced. The test specimen was a tall, slender, carbon steel vessel that could represent a reactor vessel, steam generator, or a heat exchanger in a nuclear power plant: 240 inches tall, outer diameter of 60 inches, and wall thickness of 1 inch. The vessel was supported by three radial mounts at its mid-height, near its center of gravity, on a steel frame. The vessel was subjected to three-component ground motions using a 6DOF earthquake simulator. The specimen was filled with water for testing to indirectly account for the fluid and internal equipment present inside a prototype vessel. Three configurations were tested: non-isolated, isolated using single Friction Pendulum (SFP) bearings, and isolated using triple Friction Pendulum (TFP) bearings. The test results demonstrate that mid-height seismic isolation is practical and enables a significant reduction in horizontal spectral accelerations. Furthermore, these outcomes are not specific to the spherical sliding bearings used in the experiments but are broadly applicable to mid-height, seismically isolated equipment.

42 ENGINEERING↗

Temperature-Dependent Configurational Entropy Calculations for Refractory High-Entropy Alloys

The cluster expansion formalism for alloys is used to construct surrogate models for three refractory high-entropy alloys (NbTiVZr, HfNbTaTiZr, and AlHfNbTaTiZr). These cluster expansion models are then used along with Monte Carlo methods and thermodynamic integration to calculate the configurational entropy of these refractory high-entropy alloys as a function of temperature. Many solid solution alloy design guidelines are based on the ideal entropy of mixing, which increases monotonically with N , the number of elements in the alloy. However, our results show that at low temperatures, the configurational entropy of these materials is largely independent of N , and the assumption described above only holds in the high-temperature limit. This suggests that alloy design guidelines based on the ideal entropy of mixing require further examination.

36 MATERIALS SCIENCE↗

Engineering Multi-scale B2 Precipitation in a Heterogeneous FCC Based Microstructure to Enhance the Mechanical Properties of a Al0.5Co1.5CrFeNi1.5 High Entropy Alloy

While ordered L12 or gamma prime precipitates in face centered cubic (FCC) based microstructures have been extensively used for strengthening Nickel or Cobalt base superalloys, and more recently in high entropy alloys (HEAs) or complex concentrated alloys (CCAs), the possibility of exploiting ordered B2 precipitates in FCC-based systems has been relatively less investigated. The present study shows the propensity of developing a heterogeneous microstructure, consisting of two different distributions of FCC grain sizes, and two different size scales of B2 precipitates, within an FCC-based Al0.5Co1.5CrFeNi1.5 HEA/CCA. This alloy composition has been designed using solution thermodynamics-based modeling such that it has a high phase fraction and solvus temperature of the B2 phase. The resulting heterogenous microstructure exhibited an approximately 400% increase in yield strength with respect to the single-phase FCC solid solution condition of the same alloy while maintaining very good tensile ductility ~20 %.

Dasari, Sriswaroop↗

Microstability of β ~ 1 tokamak equilibria

High-power-density tokamaks offer a potential solution to design cost-effective fusion devices. One way to achieve high power density is to operate at a high β value (the ratio of thermal to magnetic pressure), i.e. β~1 . However, a β~1 state may be unstable to various pressure- and current-driven instabilities or have unfavourable microstability properties. To explore these possibilities, we generate β~1 equilibria and investigate their stability. First, we demonstrate the generation of high-β equilibria with the computer code VMEC. We then analyse these equilibria to determine their stability against the infinite-n ideal-ballooning mode. We follow that by engaging in a detailed microstability study using the GS2 code, beginning with assessments of electrostatic ion-temperature-gradient and trapped election mode instabilities. We observe interesting behaviour for the high-β equilibria – stabilization of these modes through two distinct mechanisms – large negative local shear and reversal of electron precession drift. Finally, we perform electromagnetic gyrokinetic simulations and observe enhanced stability in the outer core of high-β equilibria and absence of kinetic ballooning modes in the negative-triangularity, high-β equilibria. The enhanced outer-core stability of high-β equilibria is different from their lower-β counterparts and offers an alternative, potentially favourable regime of tokamak operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

De novo design of protein structure and function with RFdiffusion

Abstract There has been considerable recent progress in designing new proteins using deep-learning methods 1–9 . Despite this progress, a general deep-learning framework for protein design that enables solution of a wide range of design challenges, including de novo binder design and design of higher-order symmetric architectures, has yet to be described. Diffusion models 10,11 have had considerable success in image and language generative modelling but limited success when applied to protein modelling, probably due to the complexity of protein backbone geometry and sequence–structure relationships. Here we show that by fine-tuning the RoseTTAFold structure prediction network on protein structure denoising tasks, we obtain a generative model of protein backbones that achieves outstanding performance on unconditional and topology-constrained protein monomer design, protein binder design, symmetric oligomer design, enzyme active site scaffolding and symmetric motif scaffolding for therapeutic and metal-binding protein design. We demonstrate the power and generality of the method, called RoseTTAFold diffusion (RFdiffusion), by experimentally characterizing the structures and functions of hundreds of designed symmetric assemblies, metal-binding proteins and protein binders. The accuracy of RFdiffusion is confirmed by the cryogenic electron microscopy structure of a designed binder in complex with influenza haemagglutinin that is nearly identical to the design model. In a manner analogous to networks that produce images from user-specified inputs, RFdiffusion enables the design of diverse functional proteins from simple molecular specifications.

Science & Technology - Other Topics↗

A semi-automated algorithm for designing stellarator divertor and limiter plates and application to HSX

We present a semi-automated algorithm for designing three-dimensional divertor or limiter plates targeting low heat loads. The algorithm designs the plates in two stages: firstly, the parallel heat flux distribution is caught on vertically-inclined plates at one or several toroidal locations. Secondly, the power per unit area is reduced by stretching, tilting and bending the plates toroidally. Heat transport is modelled using the EMC3-Lite code, which uses an anisotropic diffusion model. We apply this scheme to HSX, a medium-sized stellarator located at the University of Wisconsin–Madison. Starting from the current machine with an extended vessel wall, we construct plates which are able to effectively catch and spread the heat for three different magnetic configurations. The scheme has a computational cost in the order of tens of CPU-minutes, making it a powerful tool for semi-automated plasma-facing component design in three-dimensional environments.

anisotropic diffusion↗