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At least 37 records · Page 2

CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates

Characterizing glycans and glycoconjugates in the context of three-dimensional structures is important in understanding their biological roles and developing efficient therapeutic agents. Computational modeling and molecular simulation have become an essential tool complementary to experimental methods. In this work, we present a computational tool, Glycan Modeler for in silico N–/O –glycosylation of the target protein and generation of carbohydrate-only systems. In our previous study, we developed Glycan Reader , a web-based tool for detecting carbohydrate molecules from a PDB structure and generation of simulation system and input files. As integrated into Glycan Reader in CHARMM-GUI, Glycan Modeler (Glycan Reader & Modeler) enables to generate the structures of glycans and glycoconjugates for given glycan sequences and glycosylation sites using PDB glycan template structures from Glycan Fragment Database (http://glycanstructure.org/fragment-db). Our benchmark tests demonstrate the universal applicability of Glycan Reader & Modeler to various glycan sequences and target proteins. We also investigated the structural properties of modeled glycan structures by running 2-μs molecular dynamics simulations of HIV envelope protein. The simulations show that the modeled glycan structures built by Glycan Reader & Modeler have the similar structural features compared to the ones solved by X-ray crystallography. We also describe the representative examples of glycoconjugate modeling with video demos to illustrate the practical applications of Glycan Reader & Modeler . Glycan Reader & Modeler is freely available at http://charmm-gui.org/input/glycan.

59 BASIC BIOLOGICAL SCIENCES↗

Aerocapture Technology Development for Planetary Science - Update

Within NASA's Science Mission Directorate is a technological program dedicated to improving the cost, mass, and trip time of future scientific missions throughout the Solar System. The In-Space Propulsion Technology (ISPT) Program, established in 2001, is charged with advancing propulsion systems used in space from Technology Readiness Level (TRL) 3 to TRL6, and with planning activities leading to flight readiness. The program's content has changed considerably since inception, as the program has refocused its priorities. One of the technologies that has remained in the ISPT portfolio through these changes is Aerocapture. Aerocapture is the use of a planetary body's atmosphere to slow a vehicle from hyperbolic velocity to a low-energy orbit suitable for science. Prospective use of this technology has repeatedly shown huge mass savings for missions of interest in planetary exploration, at Titan, Neptune, Venus, and Mars. With launch vehicle costs rising, these savings could be the key to mission viability. This paper provides an update on the current state of the Aerocapture technology development effort, summarizes some recent key findings, and highlights hardware developments that are ready for application to Aerocapture vehicles and entry probes alike. Description of Investments: The Aerocapture technology area within the ISPT program has utilized the expertise around NASA to perform Phase A-level studies of future missions, to identify technology gaps that need to be filled to achieve flight readiness. A 2002 study of the Titan Explorer mission concept showed that the combination of Aerocapture and a Solar Electric Propulsion system could deliver a lander and orbiter to Titan in half the time and on a smaller, less expensive launch vehicle, compared to a mission using chemical propulsion for the interplanetary injection and orbit insertion. The study also identified no component technology breakthroughs necessary to implement Aerocapture on such a mission. Similar studies of Aerocapture applications at Neptune, Venus, and Mars were studied in 2003 through 2005. All showed significant performance improvements for the missions studied. Findings from these studies were used to guide the technology development tasks originally solicited in a 2002 NASA ROSS Research Announcement. The tasks are now in their final year and have provided numerous improvements in modeling and hardware, for use in proposals or new mission starts. Major Accomplishments: Since validation of the Aerocapture maneuver requires a space flight, ground developments have focused on modeling and environment prediction, materials, and sensors. Lockheed Martin has designed and built a 2-meter Carbon-Carbon aeroshell "hot structure." The article utilizes co-cured stiffening ribs and advanced insulation to achieve large scale, and up to a 40% reduction in areal density over the Genesis probe construction. This concept would be an efficient solution for probes that experience heat rates near 800-1000 W/cm(exp 2), such as at Venus and Earth. Applied Research Associates has extensively tested a family of efficient ablative TPS materials that provide solutions for a range of heating conditions. These materials are being applied to high-temperature structures built by ATK Space Systems, led by Langley Research Center. One-meter aeroshells will be thermally tested to validate construction and demonstrate higher bondline temperatures, which can lead to mass savings of up to 30% over traditional heatshields. Ames Research Center has developed aeroshell instrumentation that could measure environmental conditions and material performance during atmospheric entry. Instruments to measure TPS recession, heat flux, and catalycity could be combined with traditional sensors to provide a "plug-and-play" system for minimal mass and power, that would acquire flight data for model improvement and risk reduction on future missions. Improved atmospheric and aerothermodynamic models ha also been a major focus of the program. Next Steps: Aerocapture is one of five technologies in competition for a flight validation opportunity through the New Millennium Program. If selected, a fully autonomous vehicle will perform an Aerocapture at Earth in 2010, and flight data will be used to validate the guidance system and the TPS material for science mission infusion.

Munk, Michelle M.↗

Long-Term Chemical Analyses in Biota Collected Upstream of the Pajarito Canyon Flood Retention Structure and Los Alamos Canyon Weir at Los Alamos National Laboratory

The Cerro Grande wildfire was a major disaster that burned during the summer of 2000 in the Jemez Mountains and parts of Los Alamos National Laboratory (LANL or Laboratory). As an immediate response to the fire, the United States Department of Energy generated a list of post-fire actions needed to mitigate the impacts of this disaster, including flooding and the potential for erosion. Two structures built post-fire include the Pajarito Canyon flood retention structure (FRS) and the Los Alamos Canyon weir. Environmental monitoring at these two structures has occurred since the early 2000s as part of ongoing efforts to evaluate impacts of the fire.

54 ENVIRONMENTAL SCIENCES↗

Satellite power systems structures: A 1980 technology status review

The classes of major structural components and constructions utilized were considered. A review of the current (SPS) structure technology status was made. The major issues considered pertinent to SPS structures are: Cost effective construction, construction materials, structural design requirements, stress and dimensional integrity of as-built structures, and predictability of strength and dynamic behavior. The feasibility of passive figure control approach to MPTS flatness, of structure stiffness compatible with MPTS pointing, of passive control through damping, and the feasibility of space fabrication of ultra-large reflector surfaces are also considered. Qualification, model verification, inspection are considered of vital concern.

Greenberg, H. S.↗

Adaptive-Control Experiments On A Large Flexible Structure

Antennalike flexible structure built for research in advanced technology including suppression of vibrations and control of initial deflections. Structure instrumented with sensors and actuators connected to digital electronic control system, programmed with control algorithms to be tested. Particular attention in this research focused on direct model-reference adaptive-control algorithm based on command generator tracker theory. Built to exhibit multiple vibrational modes, low modal frequencies, and low structural damping. Made three-dimensional so complicated interactions among components of structure and control system investigated.

Ih, Che-Hang C.↗

Experimental evaluation of active-member control of precision structures

The results of closed loop experiments that use piezoelectric active-members to control the flexible motion of a precision truss structure are described. These experiments are directed toward the development of high-performance structural systems as part of the Control/Structure Interaction (CSI) program at JPL. The focus of CSI activity at JPL is to develop the technology necessary to accurately control both the shape and vibration levels in the precision structures from which proposed large space-based observatories will be built. Structural error budgets for these types of structures will likely be in the sub-micron regime; optical tolerances will be even tighter. In order to achieve system level stability and local positioning at this level, it is generally expected that some form of active control will be required.

Fanson, James↗

Additive Manufacturing of a Steel–Ceramic Multi-Material by Selective Laser Melting

Most techniques employed for powder bed additive manufacturing (AM) only can handle a single material. However, additional functionality of the structures built, e.g., local insulation, is desirable for more sophisticated applications. In the present work, a multi-material process allowing for realization of a ceramic coating on a steel substrate and a novel sandwich system are introduced. Both were manufactured by selective laser melting (SLM). As a first step, the microstructure of a bulk zirconia–alumina ceramic, directly manufactured by SLM, was examined and its tensile strength determined. Afterwards, the ceramic was manufactured directly on the as-built surface of a tool steel processed by SLM. For this compound, the adhesive strength was determined. Finally, an open porous structure, made of the same tool steel, was built on top of the ceramic layer. The results clearly prove that the SLM process can be used for direct manufacturing of a multi-material sandwich structure made from metal and ceramic, providing an important step towards complex structures functionalized for electric insulation.

36 MATERIALS SCIENCE↗

Deployable robotic woven wire structures and joints for space applications

Deployable robotic structures are basically expandable and contractable structures that may be transported or launched to space in a compact form. These structures may then be intelligently deployed by suitable actuators. The deployment may also be done by means of either airbag or spring-loaded typed mechanisms. The actuators may be pneumatic, hydraulic, ball-screw type, or electromagnetic. The means to trigger actuation may be on-board EPROMS, programmable logic controllers (PLCs) that trigger actuation based on some input caused by the placement of the structure in the space environment. The actuation may also be performed remotely by suitable remote triggering devices. Several deployable woven wire structures are examined. These woven wire structures possess a unique form of joint, the woven wire joint, which is capable of moving and changing its position and orientation with respect to the structure itself. Due to the highly dynamic and articulate nature of these joints the 3-D structures built using them are uniquely and highly expandable, deployable, and dynamic. The 3-D structure naturally gives rise to a new generation of deployable three-dimensional spatial structures.

Shahinpoor, MO↗

Accurate interlaminar stress recovery from finite element analysis

The accuracy and robustness of a two-dimensional smoothing methodology is examined for the problem of recovering accurate interlaminar shear stress distributions in laminated composite and sandwich plates. The smoothing methodology is based on a variational formulation which combines discrete least-squares and penalty-constraint functionals in a single variational form. The smoothing analysis utilizes optimal strains computed at discrete locations in a finite element analysis. These discrete strain data are smoothed with a smoothing element discretization, producing superior accuracy strains and their first gradients. The approach enables the resulting smooth strain field to be practically C1-continuous throughout the domain of smoothing, exhibiting superconvergent properties of the smoothed quantity. The continuous strain gradients are also obtained directly from the solution. The recovered strain gradients are subsequently employed in the integration o equilibrium equations to obtain accurate interlaminar shear stresses. The problem is a simply-supported rectangular plate under a doubly sinusoidal load. The problem has an exact analytic solution which serves as a measure of goodness of the recovered interlaminar shear stresses. The method has the versatility of being applicable to the analysis of rather general and complex structures built of distinct components and materials, such as found in aircraft design. For these types of structures, the smoothing is achieved with 'patches', each patch covering the domain in which the smoothed quantity is physically continuous.

Tessler, Alexander↗

Comparison of measured temperatures, thermal stresses and creep residues with predictions on a built-up titanium structure

Temperature, thermal stresses, and residual creep stresses were studied by comparing laboratory values measured on a built-up titanium structure with values calculated from finite-element models. Several such models were used to examine the relationship between computational thermal stresses and thermal stresses measured on a built-up structure. Element suitability, element density, and computational temperature discrepancies were studied to determine their impact on measured and calculated thermal stress. The optimum number of elements is established from a balance between element density and suitable safety margins, such that the answer is acceptably safe yet is economical from a computational viewpoint. It is noted that situations exist where relatively small excursions of calculated temperatures from measured values result in far more than proportional increases in thermal stress values. Measured residual stresses due to creep significantly exceeded the values computed by the piecewise linear elastic strain analogy approach. The most important element in the computation is the correct definition of the creep law. Computational methodology advances in predicting residual stresses due to creep require significantly more viscoelastic material characterization.

Jenkins, Jerald M.↗

Experimental creep data for a built-up aluminum/titanium structure subjected to heating and loading

Experimental creep, temperature, and strain data resulting from a laboratory experiment on a built-up aluminum/titanium structure are presented. The structure and the experiment are described in detail. A heating and loading experiment lasting approximately six hours is conducted on a test structure. Considerable creep strain resulted from compressive stresses in the heated skin. Large residual stresses were found after the experiment was completed. The residual stresses in the substructure frames were large enough to preclude further cycles of creep experiments with this built-up structure because of concern that the frame webs would buckle.

Jenkins, J. M.↗

Time-dependent of characteristics of Cu/CuS/n-GaAs/In structure produced by SILAR method

Highlights: • The CuS thin film used at Cu/n-GaAs structure is grown by SILAR method. • There has been no report on ageing of characteristics of this junction in the literature. • The properties of Cu/CuS/n-GaAs/In structure are examined with different methods. • It has been shown that Cu/CuS/n-GaAs/In structure has a stable interface. - Abstract: The aim of this study is to explain effects of the ageing on the electrical properties of Cu/n-GaAs Shottky barrier diode with Copper Sulphide (CuS) interfacial layer. CuS thin films are deposited on n-type GaAs substrate by Successive Ionic Layer Adsorption and Reaction (SILAR) method at room temperature. The structural and the morphological properties of the films have been carried out by Scanning Electron Microscopy (SEM) and X-Ray Diffraction (XRD) techniques. The XRD analysis of as-grown films showed the single-phase covellite, with hexagonal crystal structure built around two preferred orientations corresponding to (102) and (108) atomic planes. The ageing effects on the electrical properties of Cu/CuS/n-GaAs/In structure have been investigated. The current–voltage (I–V) measurements at room temperature have been carried out to study the change in electrical characteristics of the devices as a function of ageing time. The main electrical parameters, such as ideality factor (n), barrier height (Φ{sub b}), series resistance (R{sub s}), leakage current (I{sub 0}), and interface states (N{sub ss}) for this structure have been calculated. The results show that the main electrical parameters of device remained virtually unchanged.

36 MATERIALS SCIENCE↗

Test Structures For Bumpy Integrated Circuits

Cross-bridge resistors added to comb and serpentine patterns. Improved combination of test structures built into integrated circuit used to evaluate design rules, fabrication processes, and quality of interconnections. Consist of meshing serpentines and combs, and cross bridge. Structures used to make electrical measurements revealing defects in design or fabrication. Combination of test structures includes three comb arrays, two serpentine arrays, and cross bridge. Made of aluminum or polycrystalline silicon, depending on material in integrated-circuit layers evaluated. Aluminum combs and serpentine arrays deposited over steps made by polycrystalline silicon and diffusion layers, while polycrystalline silicon versions of these structures used to cross over steps made by thick oxide layer.

Buehler, Martin G.↗

Design of emitter structures based on resonant perfect absorption for thermophotovoltaic applications

We report a class of thermophotovoltaic emitter structures built upon planar films that support resonant modes, known as perfectly-absorbing modes, that facilitate an exceptional optical response for selective emission. These planar structures have several key advantages over previously-proposed designs for TPV applications: they are simple to fabricate, are stable across a range of temperatures and conditions, and are capable of achieving some of the highest spectral efficiencies reported of any class of emitter structure. Utilization of these emitters leads to exceptionally high device efficiencies under low operating temperature conditions, which should open new opportunities for waste heat management. We present a theoretical framework for understanding this performance, and show that this framework can be leveraged as a search algorithm for promising candidate structures. In addition to providing an efficient theoretical methodology for identifying high-performance emitter structures, our methodology provides new insight into underlying design principles and should pave way for future design of structures that are simple to fabricate, temperature stable, and possess exceptional optical properties. (C) 2015 Optical Society of America

Foley, Jonathan J.↗

Independent Analysis of the Space Station Node Modal Test Data

With complex structures, comparison of independently derived sets of experimental modal parameters is an excellent way to increase confidence in the results. This paper presents modal identification results using the Eigensystem Realization Algorithm (ERA) on frequency response functions from the modal test of the Space Station Resource Node. The Resource Node is the first U.S.-built structure for the International Space Station. The modal test was conducted by the NASA Marshall Space Flight Center (MSFC) in January 1997 for the Boeing Company, who designed and built the Node. The ERA-calculated parameters are compared with independent results obtained by the MSFC test team using commercial software. There was excellent correlation of mode shapes between the two sets of results for the first 21 vibration modes of the structure up to 35 Hz. From 35 to 50 Hz, about 60 percent of 25 additional modes had excellent correlation. Natural frequencies and damping factors of most modes agreed within 0.1 Hz and 0.2 percent, respectively.

Pappa, Richard S.↗

Control of Flexible Structures (COFS) Flight Experiment Background and Description

A fundamental problem in designing and delivering large space structures to orbit is to provide sufficient structural stiffness and static configuration precision to meet performance requirements. These requirements are directly related to control requirements and the degree of control system sophistication available to supplement the as-built structure. Background and rationale are presented for a research study in structures, structural dynamics, and controls using a relatively large, flexible beam as a focus. This experiment would address fundamental problems applicable to large, flexible space structures in general and would involve a combination of ground tests, flight behavior prediction, and instrumented orbital tests. Intended to be multidisciplinary but basic within each discipline, the experiment should provide improved understanding and confidence in making design trades between structural conservatism and control system sophistication for meeting static shape and dynamic response/stability requirements. Quantitative results should be obtained for use in improving the validity of ground tests for verifying flight performance analyses.

Hanks, B. R.↗

The soil pore structure encountered by roots affects plant‐derived carbon inputs and fate

Summary Plant roots are the main supplier of carbon (C) to the soil, the largest terrestrial C reservoir. Soil pore structure drives root growth, yet how it affects belowground C inputs remains a critical knowledge gap. By combining X‐ray computed tomography with 14 C plant labelling, we identified root–soil contact as a previously unrecognised influence on belowground plant C allocations and on the fate of plant‐derived C in the soil. Greater contact with the surrounding soil, when the growing root encounters a pore structure dominated by small (< 40 μm Ø) pores, results in strong rhizodeposition but in areas of high microbial activity. The root system of Rudbeckia hirta revealed high plasticity and thus maintained high root–soil contact. This led to greater C inputs across a wide range of soil pore structures. The root–soil contact Panicum virgatum , a promising bioenergy feedstock crop, was sensitive to the encountered structure. Pore structure built by a polyculture, for example, restored prairie, can be particularly effective in promoting lateral root growth and thus root–soil contact and associated C benefits. The findings suggest that the interaction of pore structure with roots is an important, previously unrecognised, stimulus of soil C gains.

Plant Sciences↗