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At least 1,009 records · Page 56

A novel implementation of method of optimality criterion in synthesizing spacecraft structures with natural frequency constraints

In the design of spacecraft structures, fine tuning the structure to achieve minimum weight with natural frequency constraints is a time consuming process. Here, a novel implementation of the method of optimality criterion (OC) is developed. In this new implementation of OC, the free vibration analysis results are used to compute the eigenvalue sensitivity data required for the formulation. Specifically, the modal elemental strain and kinetic energies are used. Additionally, normalized design parameters are introduced as a second level linking that allows design variables of different values to be linked together. With the use of this novel formulation, synthesis of structures with natural frequency constraint can be carried out manually using modal analysis results. Design examples are presented to illustrate this novel implementation of the optimality criterion method.

Wang, Bo Ping↗

Product Portfolios within a Distributed Logistical System for Aviation Components

A structural model of a distributed logistical system based on fuzzy sets is proposed. This model permits the optimal organization of product portfolios. The model assumes a central organization that produces and distributes parts in the aviation industry; and peripheral organizations within the network of the central organization.

42 ENGINEERING↗

Component-wise reduced-order model design optimization such as for lattice design optimization

Systems and methods for optimizing a lattice structure design are disclosed herein. In some embodiments, a method for optimizing a lattice structure design can include (i) modeling the lattice structure with a component-wise reduced-order model (CWROM) and (ii) optimizing the CWROM based on a selected criterion using a topology optimization algorithm for lattice design. The selected criterion can include a boundary condition and a load applied to the lattice structure. By modeling the lattice structure as a CWROM, the optimization process can be very fast while still permitting the accurate computation of physical quantities of the lattice structure.

Choi, Youngsoo↗

Enhancement of Structural Health Monitoring Framework by Optimizing Vibro-Acoustic Modulation Technique to Localize Alkali-Silica Reaction Degradation in Medium-Sized Concrete Samples

Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Health monitoring of concrete structures is performed to understand the current condition of a structure based on heterogeneous measurements and then produce high confidence actionable information regarding structural integrity. This information can then be used to support operational and maintenance decisions. The objectives of this ongoing research project focus on health monitoring and data analytics of concrete slabs containing reactive aggregates and thus subjected to degradation due to alkali-silica reaction (ASR). A controlled concrete slab with four pockets of reactive aggregates (pure silica, wells, placitas, and spratt) was cast at Vanderbilt University and cured in representative conditions to accelerate degradation due to ASR. A set of four concrete samples were also cast and cured at the University of Alabama for ASR testing. Of these four samples, two slabs contained reactive aggregates while the other two had the non-reactive aggregate counterparts mixed throughout the samples. Vibro-acoustic methods were used on these slabs to locate large pockets of ASR within the reactive samples and determine the effects of rebar using the non-reactive slabs. Vibro-acoustic modulation (VAM) is a vibration-based NDE method that utilizes signatures of nonlinear dynamic interactions on contact surfaces of crack or delamination damage to detect and localize the damage. VAM analysis was conducted on both Vanderbilt and Alabama’s samples using multiple variables for damage detection and localization. The results from the data analysis of the NDE vibro-acoustic techniques on concrete slabs cured at Vanderbilt University and the University of Alabama are discussed in detail in this report. The major outcome of the analysis suggests that the VAM method can be used to detect damage within the concrete samples by comparing the results found in different sections of the samples. Results for damage localization are dependent on multiple variables used in the vibro-acoustic modulation experiments. Digital image correlation (DIC) is a three-dimensional, full-field, optical NDE technique to measure contour, deformation, vibration, and strain. The application of the digital image correlation technique to study ASR-related degradation on a large concrete sample at the University of Tennessee Knoxville is discussed and observations are presented in this report.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integrated controls-structures design methodology development for a class of flexible spacecraft

Future utilization of space will require large space structures in low-Earth and geostationary orbits. Example missions include: Earth observation systems, personal communication systems, space science missions, space processing facilities, etc., requiring large antennas, platforms, and solar arrays. The dimensions of such structures will range from a few meters to possibly hundreds of meters. For reducing the cost of construction, launching, and operating (e.g., energy required for reboosting and control), it will be necessary to make the structure as light as possible. However, reducing structural mass tends to increase the flexibility which would make it more difficult to control with the specified precision in attitude and shape. Therefore, there is a need to develop a methodology for designing space structures which are optimal with respect to both structural design and control design. In the current spacecraft design practice, it is customary to first perform the structural design and then the controller design. However, the structural design and the control design problems are substantially coupled and must be considered concurrently in order to obtain a truly optimal spacecraft design. For example, let C denote the set of the 'control' design variables (e.g., controller gains), and L the set of the 'structural' design variables (e.g., member sizes). If a structural member thickness is changed, the dynamics would change which would then change the control law and the actuator mass. That would, in turn, change the structural model. Thus, the sets C and L depend on each other. Future space structures can be roughly divided into four mission classes. Class 1 missions include flexible spacecraft with no articulated appendages which require fine attitude pointing and vibration suppression (e.g., large space antennas). Class 2 missions consist of flexible spacecraft with articulated multiple payloads, where the requirement is to fine-point the spacecraft and each individual payload while suppressing the elastic motion. Class 3 missions include rapid slewing of spacecraft without appendages, while Class 4 missions include general nonlinear motion of a flexible spacecraft with articulated appendages and robot arms. Class 1 and 2 missions represent linear mathematical modeling and control system design problems (except for actuator and sensor nonlinearities), while Class 3 and 4 missions represent nonlinear problems. The development of an integrated controls/structures design approach for Class 1 missions is addressed. The performance for these missions is usually specified in terms of (1) root mean square (RMS) pointing errors at different locations on the structure, and (2) the rate of decay of the transient response. Both of these performance measures include the contributions of rigid as well as elastic motion.

Maghami, P. G.↗

X-ray Crystal Structure of Thorium Tetrahydroborate, Th(BH 4 ) 4 , and Computational Studies of An(BH 4 ) 4 (An = Th, U)

Here the crystal structure of Th(BH 4 ) 4 is described. Two of the four BH 4 – ions are terminal and tridentate (κ 3 ), whereas the other two bridge between neighboring Th IV centers in a κ 2 ,κ 2 (i.e., bis-bidentate) fashion. Thus, each thorium center is bound to six BH 4 – groups by 14 Th–H bonds. The six boron atoms describe a distorted octahedron in which the κ 3 -BH 4 – ions are mutually cis; the 14 ligating hydrogen atoms define a highly distorted bicapped hexagonal antiprism. The thorium centers are linked into a polymer consisting of interconnected helical chains wound about 4-fold screw axes. The structures of An(BH 4 ) 4 (An = Th, U) were also investigated by DFT. The geometries of [An(BH 4 ) 6 ] 2– , [An3(BH 4 ) 16 ] 4– , and [An 5 (BH 4 ) 26 ] 6– fragments of the polymeric structures were optimized at the B3LYP and/or PBE levels. Most calculated geometries are 14-coordinate and agree with the experimental structures, but isolated [Th(BH 4 ) 6 ] 2– units are predicted to feature 16-coordinate Th IV centers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural and functional insights into the interaction between the bacteriophage T4 DNA processing proteins gp32 and Dda

Abstract Bacteriophage T4 is a classic model system for studying the mechanisms of DNA processing. A key protein in T4 DNA processing is the gp32 single-stranded DNA-binding protein. gp32 has two key functions: it binds cooperatively to single-stranded DNA (ssDNA) to protect it from nucleases and remove regions of secondary structure, and it recruits proteins to initiate DNA processes including replication and repair. Dda is a T4 helicase recruited by gp32, and we purified and crystallized a gp32–Dda–ssDNA complex. The low-resolution structure revealed how the C-terminus of gp32 engages Dda. Analytical ultracentrifugation analyses were consistent with the crystal structure. An optimal Dda binding peptide from the gp32 C-terminus was identified using surface plasmon resonance. The crystal structure of the Dda–peptide complex was consistent with the corresponding interaction in the gp32–Dda–ssDNA structure. A Dda-dependent DNA unwinding assay supported the structural conclusions and confirmed that the bound gp32 sequesters the ssDNA generated by Dda. The structure of the gp32–Dda–ssDNA complex, together with the known structure of the gp32 body, reveals the entire ssDNA binding surface of gp32. gp32–Dda–ssDNA complexes in the crystal are connected by the N-terminal region of one gp32 binding to an adjacent gp32, and this provides key insights into this interaction.

Biochemistry & Molecular Biology↗

Co-axial Joint Technology Applied to Antenna Backup Structures

The increasing demand to improve focusing accuracy and to accommodate higher frequencies in space communications and radio astronomy has created significant challenges for improving the capability of the constituent systems in radio antennas and telescopes. One important system is the radio antenna/telescope backup structure connections. The backup structure is a key element in providing a stable, precise and rigid support for the reflective surface. The ideal connection for these types of structures is rigid and concentric resulting in minimal deformation with stress/strain curves that are linear, repeatable and exhibiting no hysteresis over the entire service load range. Conceivably such a connection could be designed so that the stress/strain curve mimics the stress/strain characteristics of the connecting member in both tension and compression. When this is achieved then such joints can be said to be 'invisible' in the global behavior of the backup structure. At that point, overall reflector deflection becomes more linear and highly predictable. In conjunction with this advantage, optimized backup structure geometries, adaptive reflectors and compensating algorithms can best be applied in producing an instrument of unparalleled performance. This paper introduces Co-Axial Joint (CAJ) technology as the practical and economical means to produce an invisible connection.

trusses↗

Novel Si(1-x)Ge(x)/Si heterojunction internal photoemission long wavelength infrared detectors

There is a major need for long-wavelength-infrared (LWIR) detector arrays in the range of 8 to 16 microns which operate with close-cycle cryocoolers above 65 K. In addition, it would be very attractive to have Si-based infrared (IR) detectors that can be easily integrated with Si readout circuitry and have good pixel-to-pixel uniformity, which is critical for focal plane array (FPA) applications. Here, researchers report a novel Si(1-x)Ge(x)/Si heterojunction internal photoemission (HIP) detector approach with a tailorable long wavelength infrared cutoff wavelength, based on internal photoemission over the Si(1-x)Ge(x)/Si heterojunction. The HIP detectors were grown by molecular beam epitaxy (MBE), which allows one to optimize the device structure with precise control of doping profiles, layer thickness and composition. The feasibility of a novel Si(1-x)Ge(x)/Si HIP detector has been demonstrated with tailorable cutoff wavelength in the LWIR region. Photoresponse at wavelengths 2 to 10 microns are obtained with quantum efficiency (QE) above approx. 1 percent in these non-optimized device structures. It should be possible to significantly improve the QE of the HIP detectors by optimizing the thickness, composition, and doping concentration of the Si(1-x)Ge(x) layers and by configuring the detector for maximum absorption such as the use of a cavity structure. With optimization of the QE and by matching the barrier energy to the desired wavelength cutoff to minimize the thermionic current, researchers predict near background limited performance in the LWIR region with operating temperatures above 65K. Finally, with mature Si processing, the relatively simple device structure offers potential for low-cost producible arrays with excellent uniformity.

Lin, T. L.↗

The hTERT core promoter forms three parallel G-quadruplexes

The structure of the 68 nt sequence with G-quadruplex forming potential within the hTERT promoter is disputed. One model features a structure with three stacked parallel G-quadruplex units, while another features an unusual duplex hairpin structure adjoined to two stacked parallel and antiparallel quadruplexes. We report here the results of an integrated structural biology study designed to distinguish between these possibilities. As part of our study, we designed a sequence with an optimized hairpin structure and show that its biophysical and biochemical properties are inconsistent with the structure formed by the hTERT wild-type sequence. By using circular dichroism, thermal denaturation, nuclear magnetic resonance spectroscopy, analytical ultracentrifugation, small-angle X-ray scattering, molecular dynamics simulations and a DNase I cleavage assay we found that the wild type hTERT core promoter folds into a stacked, three-parallel G-quadruplex structure. The hairpin structure is inconsistent with all of our experimental data obtained with the wild-type sequence. All-atom models for both structures were constructed using molecular dynamics simulations. These models accurately predicted the experimental hydrodynamic properties measured for each structure. We found with certainty that the wild-type hTERT promoter sequence does not form a hairpin structure in solution, but rather folds into a compact stacked three-G-quadruplex conformation.

59 BASIC BIOLOGICAL SCIENCES↗

Integrated aeroservoelastic tailoring of lifting surfaces

An approach to the integration of two design activities, structural design and active control design, for a highly idealized aeroservoelastic system is presented. The particular design goal for this study is the maximization of the stable airspeed envelope of an idealized model of an aeroservoelastic system through rational and systematic variation of structural and control design parameters. The steady-state linear quadratic regulator is used to model the control subsystem; the structural subsystem is assigned characteristic design parameters, such as shear center position. The application of the procedure described here produces optimally controlled structures with stability characteristics superior to those of open-loop and initial closed-loop designs.

Zeiler, T. A.↗

Orientation and shape control of a weight optimum free-free beam in a circular orbit

In this study, the vibration and orientation control of large space structures using the linear quadratic regulator technique is investigated. Emphasis is placed on the control of both a class of optimally designed structures and uniform structures meeting the mission requirements using a long free-free beam in orbit as an example. The open loop and closed loop dynamics are compared and the transient responses are obtained to determine the effectiveness of the control system design.

Bainum, Peter M.↗

A Constitutive Equation for Stratospheric Balloon Materials

The selection of a suitable material for use as a reliable stratospheric balloon gas barrier and structural component is based on a variety of properties. Due to a more desirable combination of properties, the low density polyethylene that has been used for the last half century has been replaced during the last decade by linear low density polyethylene (LLDPE). This paper describes the effort to characterize the time dependent properties of a 38 micron coextrusion of LLDPE. The nonlinear viscoelastic constitutive equation presented may be used to accurately describe the creep and/or relaxation of this film when subjected to a biaxial state of stress, such as might be required for an extended balloon flight. Recent laboratory data have been used to mod@ an existing model of LLDPE to account for differences caused by the coextrusion process. The new model will facilitate structural design optimization and reliability assessment, and may be further utilized as a predictive tool to benefit in-flight operations. Current structural analysis tech&ques based on linear elastic properties have predicted stresses in excess of those which would actually exist.

Rand, J. L.↗

Software issues in three dimensional continuum shape optimization employing boundary formulations

The paper addresses the issue of how individual computational techniques for the accurate and economical calculation of information required for large-scale 3D continuum structural shape optimization via boundary element analysis (BEA) formulations can be prudently selected and incorporated in large-scale BEA programs, employing either direct or iterative equation solvers. A series of techniques that allows for the incorporation of economical shape design sensitivity analysis capability with a minimal amount of software development is described. The use of reanalysis is shown to be the key ingredient associated with each of these techniques. It is concluded that, from a software engineering perspective, capabilities that facilitate 3D shape optimization can be implemented in BEA programs with only modest investments in program development.

Kane, James H.↗

Accurate Binding Energies for Lithium Polysulfides and Assessment of Density Functionals for Lithium–Sulfur Battery Research

Lithium–sulfur batteries have high theoretical energy density, but a better knowledge of their intimate structural details will be helpful in improving their conductivity and long-term cycling behavior. In order to identify the stationary configurations of lithium polysulfides (Li 2 S n , 2 ≤ n ≤ 8) formed in the charging and discharging processes of the lithium–sulfur batteries, ab initio molecular dynamics was employed to sample the configuration space of Li 2 S n , followed by optimization of structures by CCSD(T)-F12b/aug-cc-pVDZ. Here, using the optimized stationary points, we have created the LiSAE38 benchmark database of atomization energies (AEs) of 38 lithium polysulfide isomers by using the higher-level WMS and W3X-L methods. In addition, the performances of 39 density functionals have been assessed against the benchmark AEs and the relative stabilities of Li 2 S n isomers. On the basis of the assessments with the def2-QZVP basis set, the PW6B95, B97-1, B3LYP-D3, TPSS, and DSD-PBEP86 density functionals are the most accurate for the AEs, whereas the mPW2-PLYP-D, DSD-PBEP86, PW6B95, HSE06, and PBEQIDH functionals are most accurate for the relative energies. Local functionals are of special interest because of their lower cost (faster timings in terms of computer resources) for large systems; among the tested local functionals, MN15-L and revM06-L are the most accurate for the calculations of relative stabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning the Solvation Structure in Aqueous Zinc Batteries to Maximize Zn-Ion Intercalation and Optimize Dendrite-Free Zinc Plating

Aqueous zinc batteries are recognized to suffer from H + /Zn 2+ coinsertion in the cathode, but few approaches have been reported to suppress deleterious H + intercalation. We realize this goal by tuning the solvation structure, using LiV 2 (PO 4 ) 3 (LVP) as a model cathode. Phase conversion of LVP induced by H + intercalation is observed in 4 m Zn(OTf) 2 , whereas dominant Zn 2+ insertion is confirmed in a ZnCl 2 water-in-salt electrolyte (WiSE). This disparity is ascribed to the complete absence of free water and a strong Zn 2+ –H 2 O interaction in the latter that interrupts the H 2 O hydrogen bonding network, thus suppressing H + intercalation. On the basis of this strategy, a novel PEG-based hybrid electrolyte is designed to replace the corrosive ZnCl2 WiSE. This system exhibits an optimized Zn 2+ solvation sheath with a similar low free water content, showing not only much better suppression of H + intercalation but also highly reversible Zn plating/stripping with a CE of ~99.7% over 150 cycles.

25 ENERGY STORAGE↗

Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation

Chemical control of cullin neddylation is attracting increased attention based largely on the successes of the NEDD8-activating enzyme (E1) inhibitor pevonedistat. Recently reported chemical probes enable selective and time-dependent inhibition of downstream members of the neddylation trienzymatic cascade including the co-E3, DCN1. Here, we report the optimization of a novel class of small molecule inhibitors of the DCN1-UBE2M interaction. Rational X-ray co-structure enabled optimization afforded a 25-fold improvement in potency relative to the initial screening hit. The potency gains are largely attributed to additional hydrophobic interactions mimicking the N-terminal acetyl group that drives binding of UBE2M to DCN1. The compounds inhibit the protein–protein interaction, block NEDD8 transfer in biochemical assays, engage DCN1 in cells, and selectively reduce the steady-state neddylation of Cul1 and Cul3 in two squamous carcinoma cell lines harboring DCN1 amplification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Combining analysis with optimization at Langley Research Center. An evolutionary process

The evolutionary process of combining analysis and optimization codes was traced with a view toward providing insight into the long term goal of developing the methodology for an integrated, multidisciplinary software system for the concurrent analysis and optimization of aerospace structures. It was traced along the lines of strength sizing, concurrent strength and flutter sizing, and general optimization to define a near-term goal for combining analysis and optimization codes. Development of a modular software system combining general-purpose, state-of-the-art, production-level analysis computer programs for structures, aerodynamics, and aeroelasticity with a state-of-the-art optimization program is required. Incorporation of a modular and flexible structural optimization software system into a state-of-the-art finite element analysis computer program will facilitate this effort. This effort results in the software system used that is controlled with a special-purpose language, communicates with a data management system, and is easily modified for adding new programs and capabilities. A 337 degree-of-freedom finite element model is used in verifying the accuracy of this system.

Rogers, J. L., Jr.↗