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At least 343 records · Page 19

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DOE OSTI2021

Transition Path Sampling Study of the Feruloyl Esterase Mechanism

Serine hydrolases cleave peptide and ester bonds and are ubiquitous in nature, with applications in biotechnology, in materials, and as drug targets. The serine hydrolase two-step mechanism employs a serine–histidine–aspartate/glutamate catalytic triad, where the histidine residue acts as a base to activate poor nucleophiles (a serine residue or a water molecule) and as an acid to allow the dissociation of poor leaving groups. This mechanism has been the subject of debate regarding how histidine shuttles the proton from the nucleophile to the leaving group. To elucidate the reaction mechanism of serine hydrolases, we employ quantum mechanics/molecular mechanics-based transition path sampling to obtain the reaction coordinate using the Aspergillus niger feruloyl esterase A (AnFaeA) as a model enzyme. The optimal reaction coordinates include terms involving nucleophilic attack on the carbonyl carbon and proton transfer to, and dissociation of, the leaving group. During the reaction, the histidine residue undergoes a reorientation on the time scale of hundreds of femtoseconds that supports the “moving histidine” mechanism, thus calling into question the “ring flip” mechanism. We find a concerted mechanism, where the transition state coincides with the tetrahedral intermediate with the histidine residue pointed between the nucleophile and the leaving group. Moreover, motions of the catalytic aspartate toward the histidine occur concertedly with proton abstraction by the catalytic histidine and help stabilize the transition state, thus partially explaining how serine hydrolases enable poor nucleophiles to attack the substrate carbonyl carbon. Rate calculations indicate that the second step (deacylation) is rate-determining, with a calculated rate constant of 66 s –1 . Altogether, these results reveal the pivotal role of active-site dynamics in the catalytic mechanism of AnFaeA, which is likely similar in other serine hydrolases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

New Mechanism for Yield Point Phenomena

Yield point phenomena (YPP) are widely attributed to discrete dislocation locking by solute atmospheres. An alternate YPP mechanism was recently suggested by simulations of Ta single crystals without any influence of solutes or discrete dislocations. The general meso-scale (GM) simulations consist of crystal plasticity (CP) plus accounting for internal stresses of geometrically necessary dislocation content. GM predicted the YPP while CP did not, suggesting a novel internal stress mechanism. The predicted YPP varied with crystal orientation and boundary conditions, contrary to expectations for a solute mechanism. The internal stress mechanism was probed by experimentally deforming oligocrystal Ta samples and comparing the results with independent GM simulations. Strain distributions of the experiments were observed with high-resolution digital image correlation. A YPP stress–strain response occurred in the 0–2% strain range in agreement with GM predictions. Shear bands appeared concurrent with the YPP stress–strain perturbation in agreement with GM predictions. At higher strains, the shear bands grew at progressively slower rates in agreement with GM predictions. It was concluded that the internal stress mechanism can account for the existence of YPP in a wide variety of materials including ones where interstitial-dislocation interactions and dislocation transient avalanches are improbable. Furthermore, the internal stress mechanism is a CP analog of various micro-scale mechanisms of discrete dislocations such as pile-up or bow-out. It may operate concurrently with strain aging, or either mechanism may operate alone. A suggestion was made for a future experiment to answer this question.

42 ENGINEERING↗

DOE OSTI2024

Mechanical morphotype switching as an adaptive response in mycobacteria

Invading microbes face a myriad of cidal mechanisms of phagocytes that inflict physical damage to microbial structures. How intracellular bacterial pathogens adapt to these stresses is not fully understood. Here, we report the discovery of a virulence mechanism by which changes to the mechanical stiffness of the mycobacterial cell surface confer refraction to killing during infection. Long-term time-lapse atomic force microscopy was used to reveal a process of “mechanical morphotype switching” in mycobacteria exposed to host intracellular stress. A “soft” mechanical morphotype switch enhances tolerance to intracellular macrophage stress, including cathelicidin. Both pharmacologic treatment, with bedaquiline, and a genetic mutant lacking uvrA modified the basal mechanical state of mycobacteria into a soft mechanical morphotype, enhancing survival in macrophages. Our study proposes microbial cell mechanical adaptation as a critical axis for surviving host-mediated stressors.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

ForceGen: End-to-end de novo protein generation based on nonlinear mechanical unfolding responses using a language diffusion model

Through evolution, nature has presented a set of remarkable protein materials, including elastins, silks, keratins and collagens with superior mechanical performances that play crucial roles in mechanobiology. However, going beyond natural designs to discover proteins that meet specified mechanical properties remains challenging. Here, we report a generative model that predicts protein designs to meet complex nonlinear mechanical property-design objectives. Our model leverages deep knowledge on protein sequences from a pretrained protein language model and maps mechanical unfolding responses to create proteins. Via full-atom molecular simulations for direct validation, we demonstrate that the designed proteins are de novo, and fulfill the targeted mechanical properties, including unfolding energy and mechanical strength, as well as the detailed unfolding force-separation curves. Our model offers rapid pathways to explore the enormous mechanobiological protein sequence space unconstrained by biological synthesis, using mechanical features as the target to enable the discovery of protein materials with superior mechanical properties.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Electro-Thermo-Mechanical (ETM) Study on Submarine Dynamic Power Cables (SDPC) for Offshore Wind Transmission

Understanding the failure mechanisms of submarine dynamic power cables (SDPC) is critical for innovative design to meet the 2035 cost reduction target of U.S. DOE Floating Offshore Wind Shot. This is important because the current design suffers a significant failure rate in the field. This project conducted a systematic electro-thermo-mechanical (ETM) experimental study on the power cores extracted from a 15kV power cable with three cores of copper conductor, ethylene propylene rubber (EPR) insulation, and continuously corrugated welded aluminum armor (CCWA). An ETM testing system was developed by integrating a high voltage (HV) amplifier, two ceramic heaters, and a rod-plate transverse compression setup into a mechanical testing machine. Increasing temperature from room temperature (RT, 22 degree C) to 90 degree C resulted in the 67% decrease in the failure mechanical load as defined by the dielectric breakdown. Under creep mechanical loading, the dielectric breakdown time was decreased by 70% for a given mechanical load when the specimen temperature increased from RT to 90oC. The failure strain in both monotonic and creep mechanical loading modes was related to the maximum mechanical load applied. Although the dielectric breakdown occurred in the ETM test, the post-test measurement revealed an impressive recovery of electric resistance. The failure analysis on cross section of tested specimens indicated a sizable gap across insulation layer near the area between copper conductor and loading rod, which apparently resulted from online dielectric failure and offline elastic recovery of components including conductor and insulation layer.

17 WIND ENERGY↗

NASA NTRS1986

A mechanism for precise linear and angular adjustment utilizing flexures

The design and development of a mechanism for precise linear and angular adjustment is described. This work was in support of the development of a mechanical extensometer for biaxial strain measurement. A compact mechanism was required which would allow angular adjustments about perpendicular axes with better than 0.001 degree resolution. The approach adopted was first to develop a means of precise linear adjustment. To this end, a mechanism based on the toggle principle was built with inexpensive and easily manufactured parts. A detailed evaluation showed that the resolution of the mechanism was better than 1 micron and that adjustments made by using the device were repeatable. In the second stage of this work, the linear adjustment mechanisms were used in conjunction with a simple arrangement of flexural pivots and attachment blocks to provide the required angular adjustments. Attempts to use the mechanism in conjunction with the biaxial extensometer under development proved unsuccessful. Any form of in stitu adjustment was found to cause erratic changes in instrument output. These changes were due to problems with the suspension system. However, the subject mechanism performed well in its own right and appeared to have potential for use in other applications.

Ellis, J. R.↗

NASA NTRS1986

Systematic development of reduced reaction mechanisms for dynamic modeling

A method for systematically developing a reduced chemical reaction mechanism for dynamic modeling of chemically reactive flows is presented. The method is based on the postulate that if a reduced reaction mechanism faithfully describes the time evolution of both thermal and chain reaction processes characteristic of a more complete mechanism, then the reduced mechanism will describe the chemical processes in a chemically reacting flow with approximately the same degree of accuracy. Here this postulate is tested by producing a series of mechanisms of reduced accuracy, which are derived from a full detailed mechanism for methane-oxygen combustion. These mechanisms were then tested in a series of reactive flow calculations in which a large-amplitude sinusoidal perturbation is applied to a system that is initially quiescent and whose temperature is high enough to start ignition processes. Comparison of the results for systems with and without convective flow show that this approach produces reduced mechanisms that are useful for calculations of explosions and detonations. Extensions and applicability to flames are discussed.

Frenklach, M.↗

NASA NTRS1993

Simplified jet-A kinetic mechanism for combustor application

Successful modeling of combustion and emissions in gas turbine engine combustors requires an adequate description of the reaction mechanism. For hydrocarbon oxidation, detailed mechanisms are only available for the simplest types of hydrocarbons such as methane, ethane, acetylene, and propane. These detailed mechanisms contain a large number of chemical species participating simultaneously in many elementary kinetic steps. Current computational fluid dynamic (CFD) models must include fuel vaporization, fuel-air mixing, chemical reactions, and complicated boundary geometries. To simulate these conditions a very sophisticated computer model is required, which requires large computer memory capacity and long run times. Therefore, gas turbine combustion modeling has frequently been simplified by using global reaction mechanisms, which can predict only the quantities of interest: heat release rates, flame temperature, and emissions. Jet fuels are wide-boiling-range hydrocarbons with ranges extending through those of gasoline and kerosene. These fuels are chemically complex, often containing more than 300 components. Jet fuel typically can be characterized as containing 70 vol pct paraffin compounds and 25 vol pct aromatic compounds. A five-step Jet-A fuel mechanism which involves pyrolysis and subsequent oxidation of paraffin and aromatic compounds is presented here. This mechanism is verified by comparing with Jet-A fuel ignition delay time experimental data, and species concentrations obtained from flametube experiments. This five-step mechanism appears to be better than the current one- and two-step mechanisms.

Lee, Chi-Ming↗

NASA NTRS1995

The Clementine mechanisms

The Clementine spacecraft was developed under the 'faster, better, cheaper' theme. The constraints of a low budget coupled with an unusually tight schedule forced many departures from the normal spacecraft development methods. This paper discusses technical lessons learned about several of the mechanisms on the Clementine spacecraft as well as managerial lessons learned for the entire mechanisms subsystem. A quick overview of the Clementine mission is included; the mission schedule and environment during the mechanisms releases and deployment are highlighted. This paper then describes the entire mechanisms subsystem. The design and test approach and key philosophies for a fast-track program are discussed during the description of the mechanisms subsystem. The mechanism subsystem included a marman clamp separation system, a separation nut separation system, a solar panel deployment and pointing system, a high gain antenna feed deployment system, and two separate sensor cover systems. Each mechanism is briefly discussed. Additional technical discussion is given on the marman clamp design, the sensor cover designs, and the design and testing practices for systems driven by heated actuators (specifically paraffin actuators and frangibolts). All of the other mechanisms were of conventional designs and will receive less emphasis. Lessons learned are discussed throughout the paper as they applied to the systems being discussed. Since there is information on many different systems, this paper is organized so that information on a particular topic can be quickly referenced.

Purdy, William↗

NASA NTRS1995

Mechanical Properties of Aerogels

Aerogels are extremely low density solids that are characterized by a high porosity and pore sizes on the order of nanometers. Their low thermal conductivity and sometimes transparent appearance make them desirable for applications such as insulation in cryogenic vessels and between double paned glass in solar architecture. An understanding of the mechanical properties of aerogels is necessary before aerogels can be used in load bearing applications. In the present study, the mechanical behavior of various types of fiber-reinforced silica aerogels was investigated with hardness, compression, tension and shear tests. Particular attention was paid to the effects of processing parameters, testing conditions, storage environment, and age on the aerogels' mechanical response. The results indicate that the addition of fibers to the aerogel matrix generally resulted in softer, weaker materials with smaller elastic moduli. Furthermore, the testing environment significantly affected compression results. Tests in ethanol show an appreciable amount of scatter, and are not consistent with results for tests in air. In fact, the compression specimens appeared to crack and begin to dissolve upon exposure to the ethanol solution. This is consistent with the inherent hydrophobic nature of these aerogels. In addition, the aging process affected the aerogels' mechanical behavior by increasing their compressive strength and elastic moduli while decreasing their strain at fracture. However, desiccation of the specimens did not appreciably affect the mechanical properties, even though it reduced the aerogel density by removing trapped moisture. Finally, tension and shear test results indicate that the shear strength of the aerogels exceeds the tensile strength. This is consistent with the response of brittle materials. Future work should concentrate on mechanical testing at cryogenic temperatures, and should involve more extensive tensile tests. Moreover, before the mechanical response of reinforced aerogels can be fully understood, more tests of unreinforced aerogels are necessary. Unreinforced aerogels are of particular use because their birefringent nature allows for visual determination of stress fields during mechanical testing. The success of any future tests depends on the availability of a large supply of quality specimens with well-documented preparation and storage histories.

Parmenter, Kelly E.↗

NASA NTRS2000

34th Aerospace Mechanisms Symposium

The Aerospace Mechanisms Symposium (AMS) provides a unique forum for those active in the design, production and use of aerospace mechanisms. A major focus is the reporting of problems and solutions associated with the development and flight certification of new mechanisms. The National Aeronautics and Space Administration and Lockheed Martin Space Systems Company (LMSSC) share the responsibility for organizing the AMS. Now in its 34th year, the AMS continues to be well attended, attracting participants from both the U.S. and abroad. The 34th AMS, hosted by the Goddard Space Flight Center (GSFC) in Greenbelt, Maryland, was held May 10, 11 and 12, 2000. During these three days, 34 papers were presented. Topics included deployment mechanisms, bearings, actuators, pointing and optical mechanisms, Space Station mechanisms, release mechanisms, and test equipment. Hardware displays during the vendor fair gave attendees an opportunity to meet with developers of current and future mechanism components.

Edward A Boesiger↗

NASA NTRS2000

NASA Lessons Learned from Space Lubricated Mechanisms

This document reviews the lessons learned from short-life and long life lubricated space mechanisms. A short-life lubricated mechanisms complete their life test qualification requirements after a few cycles. The mechanisms include the hinges, motors and bearings for deployment, release mechanisms, latches, release springs and support shops. Performance testing can be difficult and expensive but must be accomplished. A long-life lubricated mechanisms requires up to 5 years of life testing, or 10 to 100 years of successful flight. The long-life mechanisms include reaction wheels, momentum wheels, antenna gimbals, solar array drives, gyros and despin mechanisms. Several instances of how a mechanisms failed either in test, or in space use, and the lessons learned from these failures are reviewed. The effect of the movement away from CFC-113 cleaning solvent to ODC (Ozone-Depleting Chemical) -free is reviewed, and some of the alternatives are discussed.

Predmore, Roamer E.↗

NASA NTRS1998

Feasibility of Using Neural Network Models to Accelerate the Testing of Mechanical Systems

Verification testing is an important aspect of the design process for mechanical mechanisms, and full-scale, full-length life testing is typically used to qualify any new component for use in space. However, as the required life specification is increased, full-length life tests become more costly and lengthen the development time. At the NASA Lewis Research Center, we theorized that neural network systems may be able to model the operation of a mechanical device. If so, the resulting neural network models could simulate long-term mechanical testing with data from a short-term test. This combination of computer modeling and short-term mechanical testing could then be used to verify the reliability of mechanical systems, thereby eliminating the costs associated with long-term testing. Neural network models could also enable designers to predict the performance of mechanisms at the conceptual design stage by entering the critical parameters as input and running the model to predict performance. The purpose of this study was to assess the potential of using neural networks to predict the performance and life of mechanical systems. To do this, we generated a neural network system to model wear obtained from three accelerated testing devices: 1) A pin-on-disk tribometer; 2) A line-contact rub-shoe tribometer; 3) A four-ball tribometer.

Fusaro, Robert L.↗

NASA NTRS2006

38th Aerospace Mechanisms Symposium

The Aerospace Mechanisms Symposium (AMS) provides a unique forum for those active in the design, production and use of aerospace mechanisms. A major focus is the reporting of problems and solutions associated with the development and flight certification of new mechanisms. Organized by the Mechanisms Education Association, the National Aeronautics and Space Administration and Lockheed Martin Space Systems Company (LMSSC) share the responsibility for hosting the AMS. Now in its 38th symposium, the AMS continues to be well attended, attracting participants from both the U.S. and abroad. The 38th AMs, hosted by the NASA Langley Research Center in Williamsburg, Virginia, was held May 17-19, 2006. During these three days, 34 papers were presented. Topics included gimbals, tribology, actuators, aircraft mechanisms, deployment mechanisms, release mechanisms, and test equipment. Hardware displays during the supplier exhibit gave attendees an opportunity to meet with developers of current and future mechanism components.

Boesiger, Edward A.↗

NASA NTRS2008

Safety Critical Mechanisms

Spaceflight mechanisms have a reputation for being difficult to develop and operate successfully. This reputation is well earned. Many circumstances conspire to make this so: the environments in which the mechanisms are used are extremely severe, there is usually limited or no maintenance opportunity available during operation due to this environment, the environments are difficult to replicate accurately on the ground, the expense of the mechanism development makes it impractical to build and test many units for long periods of time before use, mechanisms tend to be highly specialized and not prone to interchangeability or off-the-shelf use, they can generate and store a lot of energy, and the nature of mechanisms themselves, as a combination of structures, electronics, etc. designed to accomplish specific dynamic performance, makes them very complex and subject to many unpredictable interactions of many types. In addition to their complexities, mechanism are often counted upon to provide critical vehicle functions that can result in catastrophic events should the functions not be performed. It is for this reason that mechanisms are frequently subjected to special scrutiny in safety processes. However, a failure tolerant approach, along with good design and development practices and detailed design reviews, can be developed to allow such notoriously troublesome mechanisms to be utilized confidently in safety-critical applications.

Robertson, Brandan↗

NASA NTRS2008

39th Aerospace Mechanisms Symposium

The Aerospace Mechanisms Symposium (AMS) provides a unique forum for those active in the design, production, and use of aerospace mechanisms. A major focus is the reporting of problems and solutions associated with the development and flight certification of new mechanisms. Organized by the Mechanisms Education Association, NASA Marshall Space Flight Center (MSFC) and Lockheed Martin Space Systems Company (LMSSC) share the responsibility for hosting the AMS. Now in its 39th symposium, the AMS continues to be well attended, attracting participants from both the United States and abroad. The 39th AMS was held in Huntsville, Alabama, May 7-9, 2008. During these 3 days, 34 papers were presented. Topics included gimbals and positioning mechanisms, tribology, actuators, deployment mechanisms, release mechanisms, and sensors. Hardware displays during the supplier exhibit gave attendees an opportunity to meet with developers of current and future mechanism components.

Boesiger, E. A.↗

NASA NTRS2008

Improved Descent-Rate Limiting Mechanism

An improved braking cable-payout mechanism has been developed. Whereas other such mechanisms operate at payout speeds that vary with the length of payout, this mechanism operates at approximately constant payout speed, regardless of the length of cord that has already been paid out. The present mechanism includes a spool, a capstan assembly, and centrifugal brakes. The spool is used to store the cord and, unlike in the prior mechanism, is not involved in the primary braking function. That is, the spool operates in such a way that the cord is unwound from the spool at low tension. The spool is connected to the rest of the mechanism through a constant- torque slip clutch. The clutch must slip in order to pay out the cord. As the cord leaves the spool, it passes into the capstan assembly, wherein its direction is changed by use of the first of three idler sheaves and it is then routed into the first of three grooves on a capstan. After completing less than a full circle in the first groove, the cord passes over the second idler sheave, which is positioned to enable the cord to make the transition to the second groove on the capstan. Similarly, a third idler sheave enables the cord to make the transition to the third groove on the capstan. After traveling less than a full circle in the third groove, the cord leaves the capstan along the payout path. The total wrap angle afforded by this capstan-and-idler arrangement is large enough to prevent slippage between the cord and the capstan. The capstan is connected to a shaft that, in turn, is connected to a centrifugal brake. Hence, the effective payout radius, for purposes of braking, is not the varying radius of the remaining cord on the spool but, rather, the constant radius of the grooves in the capstan. The payout speed is determined primarily by this radius and by the characteristics of the centrifugal brake. Therefore, the payout speed is more nearly constant in this mechanism than in the prior mechanism.

Rivellini, Tommaso P.↗

NASA NTRS2013

Bulk Metallic Glasses and Composites for Optical and Compliant Mechanisms

Mechanisms are used widely in engineering applications due to their ability to translate force and movement. They are found in kinematic pairs, gears, cams, linkages, and in flexure mechanisms (also known as compliant mechanisms). Mechanisms and flexures are used widely in spacecraft design, especially in the area of optics, where precise positioning of telescope mirrors requires elastic flexing of elements. A compliant mechanism is generally defined as a flexible mechanism that uses an elastic body deformation to cause a displacement (such as positing a mirror). The mechanisms are usually constructed as a single monolithic piece of material, and contain thin struts to allow for large elastic bending with low input force. This creates the largest problem with developing precise mechanisms; they must be fabricated from a single piece of metal, but are required to have strict accuracy on their dimensions. They are generally required to have high strength, elasticity, and low coefficient of thermal expansion.

Hofmann, Douglas C.↗