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At least 217 records · Page 12

CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems

Molecular modeling and simulation are invaluable tools for nanoscience that predict mechanical, physicochemical, and thermodynamic properties of nanomaterials and provide molecular-level insight into underlying mechanisms. However, building nanomaterial-containing systems remains challenging due to the lack of reliable and integrated cyberinfrastructures. Here we present Nanomaterial Modeler in CHARMM-GUI, a web-based cyberinfrastructure that provides an automated process to generate various nanomaterial models, associated topologies, and configuration files to perform state-of- the-art molecular dynamics simulations using most simulation packages. The nanomaterial models are based on the interface force field, one of the most reliable force fields (FFs). The transferability of nanomaterial models among the simulation programs was assessed by single-point energy calculations, which yielded 0.01% relative absolute energy differences for various surface models and equilibrium nanoparticle shapes. Three widely used Lennard-Jones (LJ) cutoff methods are employed to evaluate the compatibility of nanomaterial models with respect to conventional biomolecular FFs: simple truncation at r = 12 Å (12 cutoff), force-based switching over 10 to 12 Å (10-12 fsw), and LJ particle mesh Ewald with no cutoff (LJPME). The FF parameters with these LJ cutoff methods are extensively validated by reproducing structural, interfacial, and mechanical properties. As a result, we find that the computed density and surface energies are in good agreement with reported experimental results, although the simulation results increase in the following order: 10-12 fsw <12 cutoff < LJPME. Nanomaterials in which LJ interactions are a major component show relatively higher deviations (up to 4% in density and 8% in surface energy differences) compared with the experiment. Nanomaterial Modeler's capability is also demonstrated by generating complex systems of nanomaterial-biomolecule and nanomaterial-polymer interfaces with a combination of existing CHARMM-GUI modules. We hope that Nanomaterial Modeler can be used to carry out innovative nanomaterial modeling and simulations to acquire insight into the structure, dynamics, and underlying mechanisms of complex nanomaterial-containing systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of thread interruptions on tool pins in friction stir welding of AA6061

In this paper, effects of pin thread and thread interruptions (flats) on weld quality and process response parameters during friction stir welding (FSW) of 6061 aluminium alloy were quantified. Otherwise, identical smooth and threaded pins with zero to four flats were adopted for FSW. Weldability and process response variables were examined. Results showed that threads with flats significantly improved weld quality and reduced in-plane forces. A three-flat threaded pin led to production of defect-free welds under all examined welding conditions. Spectral analyses of in-plane forces and weld cross-sectional analysis were performed to establish correlation among pin flats, force dynamics and defect formation. Finally, the lowest in-plane force spectra amplitudes were consistently observed for defect-free welds.

42 ENGINEERING↗

Friction stir welding of thick 7175 aluminium alloy plates for deepwater riser applications

To substantially reduce the cost of extracting petroleum from ultra-deepwater sources, manufacturing risers from 7175 aluminium (Al) alloys rather than steels is being considered. Friction stir welding (FSW), a solid-phase joining technique, is widely applied to 7XXX Al alloys because its mechanical properties are retained within the nugget zone. And, the primary technical objective of the current study is the development of high-strength, corrosion-resistant weldments that connect 7175 Al riser flanges and pipes. However, as the welding thickness increases, the welding speed can be greatly impeded, which lowers the manufacturing efficiency and weakens the mechanical properties in the heat affected zone (next to the nugget). Therefore, obtaining high-performance thick plate 7175 Al alloy joints via FSW is challenging. To overcome this dilemma, the current work optimises the tool design and welding parameters for achieving high-performance joints between 25.4 mm thick 7175 Al alloy plates in butt joint configuration.

Wang, Tianhao↗

Modelling of the effect of process parameters on tensile strength of friction stir welded aluminium alloy joints

Friction stir welding (FSW) process is a promising solid-state joining process with the potential to join low-melting point material, particularly, aluminium alloy. The most attractive reason for joining aluminium alloy with this process is the avoidance of the solidification defects formed by conventional fusion welding processes. In this article, an attempt has been made to develop an empirical relationship between FSW variables and tensile strength. Central composite rotatable design was used by considering four factor and five levels, which enables to quantify the direct and interactive effect of four numeric factors, that is, tool rotational speed, welding speed, axial force, and tapered pin diameter on the tensile strength. The developed relationship is useful for prediction of tensile strength in friction stir welded AA6082 aluminium alloy joints at 95% confidence level. It will also be helpful for selection of process variable to obtain desired strength of the joint. Furthermore, the optimized capabilities in design-expert software were used to numerically optimize the input parameters. At the optimal parameters, three experiments were conducted to compare the predicted value of tensile strength with the experimental value.

36 MATERIALS SCIENCE↗

Evaluating the Potential for Remote In-Process Monitoring of Tool Wear in Friction Stir Welding of Stainless Steel

A wear characterization study was performed to determine the useful lifetime of Polycrystalline Cubic Boron Nitride tooling for the friction stir welding (FSW) of stainless steel samples in support of a nuclear repair welding research and development program. In-situ and ex-situ laser profilometry were utilized as primary methods of monitoring tool geometry degradation, and volumetric defects were detected through both non-destructive and destructive techniques, as repeated welds of a standard sample configuration were produced. The spectral content of weld forces were examined to search for indications of evolving material flow conditions, caused by significant tool wear, that would result in the formation of defects, and an artificial neural network was trained and evaluated as a means of automatically detecting these conditions. Here, the resulting performance constituted a successful demonstration of in-process monitoring of tool wear and weld quality in FSW of a high melting temperature, high hardness material.

36 MATERIALS SCIENCE↗

Microstructure based modeling of friction stir welded joint of dissimilar metals using crystal plasticity

We report the friction stir welding (FSW) process shows promising results in joining dissimilar metals which are otherwise almost impossible to join using traditional welding techniques. Being a new technique, the deformation and the failure mechanism of the joints made by the FSW process needs to be investigated. In this work, a joint between AZ31 Mg alloy and DP590 steel is modeled using phenomenological crystal plasticity formulation on the mesoscale in the form of a representative volume element (RVE). The interface of the two materials is modeled using a cohesive zone model. A parametric study has been performed to understand the effect of grain size and interface fracture toughness as well as strength on the mechanical performance of the joint. It was found that the grain size of AZ31 Mg alloy, as well as DP590 steel, has little effect on the overall joint performance. On the other hand, interface fracture toughness and strength have a significant impact on the mechanical properties of the joint

36 MATERIALS SCIENCE↗

Corrosion Testing of Friction Stir Welded 304L Stainless Steel

A preliminary study on the microstructural characteristics and stress corrosion cracking susceptibility of a friction stir welded (FSW) 304L stainless steel plate was carried out. The weld examined was characterized by several typical microstructural features of friction stir welds including a gradient of dynamically recrystallized microstructure with distinct material flow patterns reflective of the complex distribution of thermomechanical histories. Evidence of process-induced microstructural sensitization was lacking Immersion testing of the friction stir welded plate in boiling magnesium chloride solution indicated the FSW region was more susceptible to SCC than the base 304L material, especially along the weld toes. The microstructural origins of this SCC susceptibility are not clear, but it is likely driven by residual stress imparted by the welding process. Future work will focus on direct examination of the SCC damaged microstructure and residual stress of the weld zone to further clarify the operative characteristics controlling SCC susceptibility.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Microstructural, Corrosion, and Mechanical Characterization of Friction Stir Welded Al 6022-to-ZEK100 Mg Joints

Friction stir welded (FSW) aluminum–magnesium lightweight vehicle joints have gained significant interest due to their high strength-to-weight ratio. In this work, the corrosion resistance of this material is analyzed through electrochemical tests, which include open circuit potential (OCP) inspection and potentiodynamic polarization (PD) scanning. Weight loss measurements tested the corrosion rate of the FSW weld through cyclic corrosion testing (CCT) according to the standard SAEJ 2334. Mechanical properties were also investigated, including lap-shear strength, micro- and nano-hardness mapping, and true stress–strain curves as a function of local processing history. The electrochemical results indicate that the center weld zone’s corrosion property stays between the two base alloys. Indentation-based testing demonstrated that the weld zone behaves differently from base alloys. Lap shear strength surprisingly did not drop much even after eight weeks of cyclic corrosion tests, indicating that the joint did not allow any ingress of the electrolyte.

36 MATERIALS SCIENCE↗

Work Capability and physiological effects predictive studies. 4: In He-O2 excursions to pressures of 400- 800- 1200- and 1600 feet of sea water

Experiments which exposed men in chambers, breathing helium with oxygen, to progressive increases of pressure equivalent to 400-800-1200-1600 feet of sea water (fsw) were conducted. Rates of compression and exposure to stable high pressure. Goals included: 1) determination of the specific character and time course of onset of physiological and performance decrements during the intentionally rapid compressions, and determination of rates of adaptation on reaching stable elevated pressure; 2) investigation of accelerated methods for decompression in deep saturation excursion diving; and 3) determination of competence in practical work performed in water at pressures equivalent to the extreme diving depths of 1200 and 1600 fsw.

Lambertsen, C. J.↗

Body-freedom flutter of a 1/2-scale forward-swept-wing model, an experimental and analytical study

The aeroelastic phenomenon known as body-freedom flutter (BFF), a dynamic instability involving aircraft-pitch and wing-bending motions which, though rarely experienced on conventional vehicles, is characteristic of forward swept wing (FSW) aircraft was investigated. Testing was conducted in the Langley transonic dynamics tunnel on a flying, cable-mounted, 1/2-scale model of a FSW configuration with and without relaxed static stability (RSS). The BFF instability boundaries were found to occur at significantly lower airspeeds than those associated with aeroelastic wing divergence on the same model. For those cases with RSS, a canard-based stability augmentation system (SAS) was incorporated in the model. This SAS was designed using aerodynamic data measured during a preliminary tunnel test in which the model was attached to a force balance. Data from the subsequent flutter test indicated that BFF speed was not dependent on open-loop static margin but, rather, on the equivalent closed-loop dynamics provided by the SAS. Servo-aeroelastic stability analyses of the flying model were performed using a computer code known as SEAL and predicted the onset of BFF reasonably well.

Chipman, R.↗

Control of forward swept wing configurations dominated by flight-dynamic/aeroelastic interactions

An active control system concept for an aeroelastic wind-tunnel model of a statically unstable FSW configuration with wing-mounted stores is developed to provide acceptable longitudinal flying qualities while maintaining adequate flutter speed margin. On FSW configurations, the inherent aeroelastic wing divergence tendency causes strong flight-dynamic/aeroelastic interactions that in certain cases can produce a dynamic instability known as body-freedom flutter (BFF). The carriage of wing-mounted stores is shown to severely aggravate this problem. The control system developed combines a canard-based SAS with an Active Divergence/Flutter Suppression (ADFS) system which relies on wing-mounted sensors and a trailing-edge device (flaperon). Synergism between these two systems is exploited to obtain the flying qualities and flutter speed objectives.

Rimer, M.↗

Transonic test of a forward swept wing configuration exhibiting Body Freedom Flutter

The aeroelastic dynamic instability designated Body Freedom Flutter (BFF) involves aircraft pitch and wing bending motions characteristic of forward swept wing (FSW) aircraft. Attention is presently given to the results of tests conducted on a 1/2-scale cable-mounted FSW wind tunnel model, with and without relaxed static stability (RSS) control conditions. BFF instability boundaries were found to occur at significantly lower air speeds than those associated with aeroelastic wing divergence on the same model. Servoaeroelastic stability analyses have been conducted which proved capable of predicting the measured onset of BFF, in both the statically stable and RSS configurations tested.

Chipman, R.↗

X-29 initial flight test results

It is announced that the X-29 forward-swept-wing (FSW) aircraft has been built, with flight testing under way and proceeding smoothly. The X-29 is a single-seat, single-engine supersonic aircraft that blends an optimized FSW, a close-coupled near-coplar canard, an F-5A forward fuselage module employing two side-mounted engine inlets, and a new aft fuselage. An F404-GE-400 engine with afterburner provides about 16,000 lb of thrust. The X-29 was designed to be near neutrally stable in the supersonic region to minimize drag; it becomes highly unstable transonically and subsonically, which dictates the use of a computerized fly-by-wire flight control system capable of stabilizing the aircraft. The X-29 advanced technology demonstrator began flight testing on Dec. 14, 1984; by Sept. 26, 1985, its envelope had been expanded to 0.75 Mach, 350 knots estimated airspeed, and 30,000 feet altitude. The aircraft has flown with very few problems and aerodynamic, structural, and control system results have correlated well with predictions. Areas where prediction and performance are not so well correlated are noted.

Ishmael, S. D.↗

A Combined Experimental and Analytical Modeling Approach to Understanding Friction Stir Welding

In the Friction Stir Welding (FSW) process a rotating pin tool joins the sides of a seam by stirring them together. This solid state welding process avoids problems with melting and hot-shortness presented by some difficult-to weld high-performance light alloys. The details of the plastic flow during the process are not well understood and are currently a subject of research. Two candidate models of the FSW process, the Mixed Zone (MZ) and the Single Slip Surface (S3) model are presented and their predictions compared to experimental data.

Nunes, Arthur C., Jr.↗

Loading Considerations for Implementing Friction STIR Welding for Large Diameter Tank Fabrication

The main objectives of the research presented here are to determine the reaction loads associated with friction stir welding (FSW) and to determine the suitability of an existing welding fixture for implementing this welding process in the fabrication of large diameter tanks. Friction stir welding is a relatively new process which is being investigated as a method for joining aluminum alloys. The aluminum-lithium alloy, Al-Li 2195, which is being used to fabricate the super-light-weight shuttle external tank has proven difficult to join using fusion techniques. Therefore, FSW and its potential applicability to joining Al-Li 2195 are of particular interest to NASA.

Adams, Glynn↗

Assembly of a Full-Scale External Tank Barrel Section Using Friction Stir Welding

A full-scale pathfinder barrel section of the External Tank for the National Aeronautics and Space Administration (NASA) Space Transport System (Space Shuttle) has been assembled at Marshall Space Flight Center (MSFC) via a collaborative effort between NASA/MSFC and Lockheed Martin Michoud Space Systems. The barrel section is 27.5 feet in diameter and 15 feet in height. The barrel was assembled using Super-Light-Weight (SLWT), orthogrid, Al-Li 2195 panel sections and a single longeron panel. A vertical weld tool at MSFC was modified to accommodate FSW and used to assemble the barrel. These modifications included the addition of a FSW weld head and new controller hardware and software, the addition of a backing anvil and the replacement of the clamping system with individually actuated clamps. Weld process 4evelopment was initially conducted to optimize the process for the welds required for completing the assembly. The variable thickness welds in the longeron section were conducted via both two-sided welds and with the use of a retractable pin tool. The barrel assembly was completed in October 1998. Details of the vertical weld tool modifications and the assembly process are presented.

Jones, Chip↗

The Plastic Flow Field in the Vicinity of the Pin-Tool During Friction Stir Welding

The plastic flow field in the vicinity of the pin-tool during Friction Stir Welding (FSW) needs to be understood if a theoretical understanding of the process is to be attained. The structure of welds does not exhibit the flow field itself, but consists in a residue of displacements left by the plastic flow field. The residue requires analysis to extract from it the instantaneous flow field around the pin-tool. A simplified merry-go-round model makes sense of some tracer experiments reported in the literature. A quantitative comparison is made of the displacements of copper wire markers with displacements computed from a hypothetical plastic flow field. The hypothetical plastic flow field consists in a circular rotation field about a translating pin tool with angular velocity varying with radius from the pin centerline. A sharply localized rotational field comprising slip on a surface around the tool agreed better with observations than a distributed slip field occupying a substantial volume around the tool. Both the tracer and the wire displacements support the "rotating plug" model, originally invoked or thermal reasons, of the FSW process.

Bernstein, E. L.↗

Closed-Loop Control System for Friction Stir Welding Retractable Pin Tool

NASA invention disclosure, NASA Case No. MFS-31413, entitled "System for Controlling the Stirring Pin of a Friction Stir Welding Apparatus", (Patent Pending) authored by Jeff Ding, Dr Peter Romine and Pete Oelgoetz, addresses the precision control of the friction stir welding process. The closed-loop control system automatically adjusts the spinning welding pin, real-time, to maintain a precise penetration ligament (i.e., distance between pin-tip and weld panel backside surface). A specific pin length can be maintained while welding constant thickness or tapered material thickness weld panels. The closed-loop control system provides operator data and information relative to the exact position of the welding pin inside the weld joint. This paper presents the closed-loop RPT control system that operates using the auto-feedback of force signals sensed by the tip and shoulder of the welding pin. Significance: The FSW process can be successfully used in a production environment only if there is a method or technique that informs the FSW operator the precise location of the welding pin inside the weld joint. This is essential for applications in aerospace, automotive, pressure vessel, commercial aircraft and other industries.

Ding, R. Jeffrey↗