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At least 1,189 records · Page 66

Using High-Fidelity Analysis Methods and Experimental Results to Account for the Effects of Imperfections on the Buckling Response of Composite Shell Structures

The results of an experimental and analytical study of the effects of initial imperfections on the buckling response of unstiffened thin-walled compression-loaded graphite-epoxy cylindrical shells are presented. The analytical results include the effects of traditional and nontraditional initial imperfections and uncertainties in the values of selected shell parameters on the buckling loads of the shells. The nonlinear structural analysis results correlate very well with the experimental results. The high-fidelity nonlinear analysis procedure used to generate the analytical results can also be used to form the basis of a new shell design procedure that could reduce the traditional dependence on empirical results in the shell design process. KEYWORDS: high-fidelity nonlinear structural analysis, composite shells, shell stability, initial imperfections

Starnes, James H., Jr.↗

Structure-Based Analysis of Semisynthetic Anti-TB Rufomycin Analogues

This study employed structural information from cocrystals of rufomycin 4 (1a) and caseinolytic protein C1 (ClpC1)-NTD-wt to guide design and semisynthesis of rufomycin analogues, evaluate their antituberculosis (TB) biological profiles, and establish structure–activity relationships (SAR). Covering three regions of interest (ROIs, A–C) as modification sites, 14 of the 30 semisynthetic analogues (2–31) showed similar or improved MICs relative to the main natural precursors, rufomycins 4/6 (1a/b). Compounds 5 and 27 exhibited up to 10-fold enhanced potency against Mycobacterium tuberculosis (Mtb) in vitro, with MIC values of 1.9 and 1.4 nM, respectively. Evaluation of ClpC1-binding properties used existing ClpC1-NTD complexes with rufomycin 4 (PDB: 6cn8) and ecumicin (PDB: 6pbs) as references. The newly reported X-ray ClpC1-NTD cocrystal structure of 11 (syn. But4-Cl) revealed significant conformational effects involving the side chains of certain amino acids of the heptapeptide and confirmed the importance of ROIs A–C for medicinal chemistry efforts. Observed interactions of the N-terminal tail of ClpC1 with the rufomycin analogues vs ecumicin explains their different modes of inactivating the ClpC1/P1/P2 homeostatic machinery. Collectively, the observations inform further SAR optimization strategies for the rufomycin class of antibiotics and complement our understanding of their mode of action.

60 APPLIED LIFE SCIENCES↗

Development and application of optimum sensitivity analysis of structures

The research focused on developing an algorithm applying optimum sensitivity analysis for multilevel optimization. The research efforts have been devoted to assisting NASA Langley's Interdisciplinary Research Office (IRO) in the development of a mature methodology for a multilevel approach to the design of complex (large and multidisciplinary) engineering systems. An effort was undertaken to identify promising multilevel optimization algorithms. In the current reporting period, the computer program generating baseline single level solutions was completed and tested out.

Barthelemy, J. F. M.↗

Burden Versus Capability Statistical Analysis for Structural Probabilistic Risk Assessments

The purpose of the burden versus capability analysis is to analyze the ability of components to withstand the loads that they are subjected to. When designing a launch vehicle, there is always a trade-off for the strength of the components versus the weight of the vehicle. The vehicle needs to have some margin built in to the design, but this added margin should not add a significant amount of weight to the vehicle. When the material properties and limits are known, estimated loads can be used to ensure that the vehicle will survive launch loads. If the variation in the distributions can be quantified, the probability of failure can be estimated more accurately.

Green, Becky↗

ECAR-7428 Rev 0 MARVEL Upper Confinement Structure Airflow Analysis

This ECAR documents airflow values calculated for the Upper Confinement Structure (UCS) design, which is a subsystem of the Microreactor Applications Research Validation and Evaluation (MARVEL) reactor. These airflow values are calculated based on current design parameters and heat removal requirements and are needed to verify the UCS can adequately maintain a target design temperature.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Structural Reliability Analysis and Optimization: Use of Approximations

This report is intended for the demonstration of function approximation concepts and their applicability in reliability analysis and design. Particularly, approximations in the calculation of the safety index, failure probability and structural optimization (modification of design variables) are developed. With this scope in mind, extensive details on probability theory are avoided. Definitions relevant to the stated objectives have been taken from standard text books. The idea of function approximations is to minimize the repetitive use of computationally intensive calculations by replacing them with simpler closed-form equations, which could be nonlinear. Typically, the approximations provide good accuracy around the points where they are constructed, and they need to be periodically updated to extend their utility. There are approximations in calculating the failure probability of a limit state function. The first one, which is most commonly discussed, is how the limit state is approximated at the design point. Most of the time this could be a first-order Taylor series expansion, also known as the First Order Reliability Method (FORM), or a second-order Taylor series expansion (paraboloid), also known as the Second Order Reliability Method (SORM). From the computational procedure point of view, this step comes after the design point identification; however, the order of approximation for the probability of failure calculation is discussed first, and it is denoted by either FORM or SORM. The other approximation of interest is how the design point, or the most probable failure point (MPP), is identified. For iteratively finding this point, again the limit state is approximated. The accuracy and efficiency of the approximations make the search process quite practical for analysis intensive approaches such as the finite element methods; therefore, the crux of this research is to develop excellent approximations for MPP identification and also different approximations including the higher-order reliability methods (HORM) for representing the failure surface. This report is divided into several parts to emphasize different segments of the structural reliability analysis and design. Broadly, it consists of mathematical foundations, methods and applications. Chapter I discusses the fundamental definitions of the probability theory, which are mostly available in standard text books. Probability density function descriptions relevant to this work are addressed. In Chapter 2, the concept and utility of function approximation are discussed for a general application in engineering analysis. Various forms of function representations and the latest developments in nonlinear adaptive approximations are presented with comparison studies. Research work accomplished in reliability analysis is presented in Chapter 3. First, the definition of safety index and most probable point of failure are introduced. Efficient ways of computing the safety index with a fewer number of iterations is emphasized. In chapter 4, the probability of failure prediction is presented using first-order, second-order and higher-order methods. System reliability methods are discussed in chapter 5. Chapter 6 presents optimization techniques for the modification and redistribution of structural sizes for improving the structural reliability. The report also contains several appendices on probability parameters.

Grandhi, Ramana V.↗

An enhancement of NASTRAN for the seismic analysis of structures

New modules, bulk data cards and DMAP sequence were added to NASTRAN to aid in the seismic analysis of nuclear power plant structures. These allow input consisting of acceleration time histories and result in the generation of acceleration floor response spectra. The resulting system contains numerous user convenience features, as well as being reasonably efficient.

Burroughs, J. W.↗

Pyrimidine biosynthesis in pathogens – Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae

The de novo pyrimidine biosynthesis pathway is essential for the proliferation of many pathogens. One of the pathway enzymes, dihydroorotase (DHO), catalyzes the reversible interconversion of N-carbamoyl-l-aspartate to 4,5-dihydroorotate. The substantial difference between bacterial and mammalian DHOs makes it a promising drug target for disrupting bacterial growth and thus an important candidate to evaluate as a response to antimicrobial resistance on a molecular level. Here, we present two novel three-dimensional structures of DHOs from Yersinia pestis (YpDHO), the plague-causing pathogen, and Vibrio cholerae (VcDHO), the causative agent of cholera. The evaluations of these two structures led to an analysis of all available DHO structures and their classification into known DHO types. Comparison of all the DHO active sites containing ligands that are listed in DrugBank was facilitated by a new interactive, structure-comparison and presentation platform. In addition, we examined the genetic context of characterized DHOs, which revealed characteristic patterns for different types of DHOs. Furthermore, we also generated a homology model for DHO from Plasmodium falciparum.

59 BASIC BIOLOGICAL SCIENCES↗

Generalized fictitious methods for fluid–structure interactions: Analysis and simulations

We present a new fictitious pressure method for fluid–structure interaction (FSI) problems in incompressible flow by generalizing the fictitious mass and damping methods we published previously in [1]. The fictitious pressure method involves modification of the fluid solver whereas the fictitious mass and damping methods modify the structure solver. We analyze all fictitious methods for simplified problems and obtain explicit expressions for the optimal reduction factor (convergence rate index) at the FSI interface [2]. This analysis also demonstrates an apparent similarity of fictitious methods to the FSI approach based on Robin boundary conditions, which have been found to be very effective in FSI problems. We implement all methods, including the semi-implicit Robin based coupling method, in the context of spectral element discretization, which is more sensitive to temporal instabilities than low-order methods. However, the methods we present here are simple and general, and hence applicable to FSI based on any other spatial discretization. In numerical tests, we verify the selection of optimal values for the fictitious parameters for simplified problems and for vortex-induced vibrations (VIV) even at zero mass ratio (“for-ever-resonance”). We also develop an empirical a posteriori analysis for complex geometries and apply it to 3D patient-specific flexible brain arteries with aneurysms for very large deformations. We demonstrate that the fictitious pressure method enhances stability and convergence, and is comparable or better in most cases to the Robin approach or the other fictitious methods.

Computer Science↗

Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors

We describe the use of comparative structural analysis and structure-guided molecular design to develop potent and selective inhibitors (10d and (S)-17b) of matrix metalloproteinase 13 (MMP-13). We applied a three-step process, starting with a comparative analysis of the X-ray crystallographic structure of compound 5 in complex with MMP-13 with published structures of known MMP-13·inhibitor complexes followed by molecular design and synthesis of potent but nonselective zinc-chelating MMP inhibitors (e.g., 10a and 10b). After demonstrating that the pharmacophores of the chelating inhibitors (S)-10a, (R)-10a, and 10b were binding within the MMP-13 active site, the Zn 2+ chelating unit was replaced with nonchelating polar residues that bridged over the Zn 2+ binding site and reached into a solvent accessible area. After two rounds of structural optimization, these design approaches led to small molecule MMP-13 inhibitors 10d and (S)-17b, which bind within the substrate-binding site of MMP-13 and surround the catalytically active Zn 2+ ion without chelating to the metal. These compounds exhibit at least 500-fold selectivity versus other MMPs.

60 APPLIED LIFE SCIENCES↗

Development of a Probabilistic Dynamic Synthesis Method for the Analysis of Nondeterministic Structures

Accounting for the statistical geometric and material variability of structures in analysis has been a topic of considerable research for the last 30 years. The determination of quantifiable measures of statistical probability of a desired response variable, such as natural frequency, maximum displacement, or stress, to replace experience-based "safety factors" has been a primary goal of these studies. There are, however, several problems associated with their satisfactory application to realistic structures, such as bladed disks in turbomachinery. These include the accurate definition of the input random variables (rv's), the large size of the finite element models frequently used to simulate these structures, which makes even a single deterministic analysis expensive, and accurate generation of the cumulative distribution function (CDF) necessary to obtain the probability of the desired response variables. The research presented here applies a methodology called probabilistic dynamic synthesis (PDS) to solve these problems. The PDS method uses dynamic characteristics of substructures measured from modal test as the input rv's, rather than "primitive" rv's such as material or geometric uncertainties. These dynamic characteristics, which are the free-free eigenvalues, eigenvectors, and residual flexibility (RF), are readily measured and for many substructures, a reasonable sample set of these measurements can be obtained. The statistics for these rv's accurately account for the entire random character of the substructure. Using the RF method of component mode synthesis, these dynamic characteristics are used to generate reduced-size sample models of the substructures, which are then coupled to form system models. These sample models are used to obtain the CDF of the response variable by either applying Monte Carlo simulation or by generating data points for use in the response surface reliability method, which can perform the probabilistic analysis with an order of magnitude less computational effort. Both free- and forced-response analyses have been performed, and the results indicate that, while there is considerable room for improvement, the method produces usable and more representative solutions for the design of realistic structures with a substantial savings in computer time.

Brown, A. M.↗

Enhancing Header Shape Through Computational Fluid Dynamics for Improved Performance

Shape optimization in power plant design is crucial for maximizing efficiency and minimizing energy losses It impacts performance, cost effectiveness, and environmental sustainability Our project focuses on optimizing header pipe geometry using a method that considers temperature, flow, and pressure distributions, along with structural analysis This approach ensures structural integrity while minimizing material costs

20 FOSSIL-FUELED POWER PLANTS↗

Development of Test-Analysis Models (TAM) for correlation of dynamic test and analysis results

The primary objective of structural analysis of aerospace applications is to obtain a verified finite element model (FEM). The verified FEM can be used for loads analysis, evaluate structural modifications, or design control systems. Verification of the FEM is generally obtained as the result of correlating test and FEM models. A test analysis model (TAM) is very useful in the correlation process. A TAM is essentially a FEM reduced to the size of the test model, which attempts to preserve the dynamic characteristics of the original FEM in the analysis range of interest. Numerous methods for generating TAMs have been developed in the literature. The major emphasis of this paper is a description of the procedures necessary for creation of the TAM and the correlation of the reduced models with the FEM or the test results. Herein, three methods are discussed, namely Guyan, Improved Reduced System (IRS), and Hybrid. Also included are the procedures for performing these analyses using MSC/NASTRAN. Finally, application of the TAM process is demonstrated with an experimental test configuration of a ten bay cantilevered truss structure.

Angelucci, Filippo↗

Inelastic Analysis of Thermomechanically Cycled Structures

Simplified inelastic analysis computer program (ANSYMP) developed for predicting stress/strain history of thermomechanically cycled structure from an elastic solution. Program uses an iterative and incremental procedure to estimate plastic strains from material stress/strain properties and simulated plasticity hardening model. Program ANSYMP developed to simplify nonlinear structural analysis using only elastic solution as input data.

Kaufman, A.↗

Application of Nonlinear Seismic Soil-Structure Interaction Analysis for Identification of Seismic Margins at Nuclear Power Plants

Seismic probabilistic risk assessment (SPRA) methods and approaches at nuclear power plants (NPP) were first developed in the 1970s and aspects of them have matured over time as they were applied and incrementally improved. SPRA provides information on risk and risk insights and allows for some accounting for uncertainty and variability. As a result, SPRA is now used as an important basis for risk-informed decision making for both new and operating NPPs in the US and in an increasing number of countries globally. SPRAs are intended to provide best estimates of the various combinations of structural and equipment failures that can lead to a seismic induced core damage event. However, in some instances the current SPRA approach contains large uncertainties, and potentially masks other important events (for instance, it was not the seismic motions that caused the Fukushima core melt events, but the tsunami ingress into the facility). INL has an advanced SPRA research and development (R&D) activity that will identify areas in the calculation process that contain significant uncertainties. One current area of focus is the use of nonlinear soil-structure interaction (NLSSI) analysis methods to accurately capture: 1) nonlinear soil behavior and 2) gapping and sliding between the NPP and soil. The goal of this study is to compare numerical NLSSI analysis results with recorded earthquake ground motions at Fukushima Daichii (Great Tohuku Earthquake) and evaluate the sources of nonlinearity contributing to the observed reduction in peak acceleration. Comparisons are made using recorded data in the free-field (soil column with no structural influence) and recorded data on the NPP basemat (in-structure response). Results presented in this study should identify areas of focus for future R&D activities with the goal of minimizing uncertainty in SPRA calculations. This is not a validation activity since there are too many sources of uncertainty that a numerical analysis would need to consider (variability in soil material properties, structural material properties, etc.). Rather the report will determine if the NLSSI calculations are following similar trends observed in the recorded data (i.e. reductions in maximum acceleration between the free-field and basemat) Numerical NLSSI results presented show maximum accelerations between the free field and basemat were reduced the EW and NS directions. The maximum acceleration in the UD direction increased slightly. The largest reduction in maximum accelerations between the modeled free-field and the NPP basemat resulted in nearly 50% reduction. The observation in reduction of numerical maximum accelerations in the EW and NS directions follows the observed trend in the recorded data. The maximum reductions observed in these NLSSI studies were due to soil nonlinearities, not gapping and sliding (although additional R&D is needed to develop an appropriate approach to model gapping and sliding). This exploratory study highlights the need for additional R&D on developing: (i) improved modeling of soil nonlinearities (soil constitutive models that appropriately capture cyclic soil behavior), (ii) improved modeling of gapping and sliding at the soil-structure interface (to appropriately capture the dissipation of energy at this interface), and (iii) experimental laboratory test data to calibrate the items (i) and (ii).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Fifteenth NASTRAN (R) Users' Colloquium

Numerous applications of the NASA Structural Analysis (NASTRAN) computer program, a general purpose finite element code, are discussed. Additional features that can be added to NASTRAN, interactive plotting of NASTRAN data on microcomputers, mass modeling for bars, the design of wind tunnel models, the analysis of ship structures subjected to underwater explosions, and buckling analysis of radio antennas are among the topics discussed.

Source record↗

Validation of numerical models for seismic fluid-structure-interaction analysis of nuclear, safety-related equipment

Seismic design, qualification, and risk assessment of nuclear safety-related vessels filled with liquid will have to consider the interaction between the vessel (tank), the contained liquid, and submerged components, if any. Seismic fluid-structure-interaction (FSI) analysis of nuclear vessels will rely on numerical models, which are required to be verified and validated. This study validates previously-verified numerical models using test data generated from earthquake-simulator experiments involving a cylindrical tank. Two solvers in LS-DYNA for FSI simulations are used for the numerical analysis: Arbitrary-Lagrangian-Eulerian (ALE) and Incompressible Computational Fluid Dynamics (ICFD). Numerical and test results are compared for responses critical to seismic design of advanced reactor vessels: hydrodynamic pressures on the tank wall, reactions at the support, and wave heights of the contained liquid. Analysis is performed for one-, two-, and three-directional seismic inputs with a range of intensity, and rocking motions. The accuracy of the numerical results and different methods for outputting wave heights are discussed. Recommendations for validation of seismic FSI numerical models of advanced reactors are provided. As a result, the validation exercise presented in this study is broadly applicable to cylindrical tanks, regardless of industry sector.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗