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Viscoelastic properties of entangled polymers - Ternary blends of monodisperse homopolymers

In a previous publication from this laboratory, the Rouse-Bueche-Zimm molecular theory of viscoelasticity has been extended by using a transient network model to apply to binary blends of monodisperse polymers with chain entanglements. The dynamics of the entanglements were modeled both by the enhanced frictional coefficients and by the additional elastic couplings. It was recognized that entanglements not only may form between chains of the same lengths (intracomponent entanglements) but also between those of different lengths (intercomponent entanglements). At a given intercomponent entanglement, the longer chain was assumed to have the frictional coefficient of the shorter chain. Similarly, for blends consisting of several monodisperse components with different molecular weights, such modifications are also required to predict their linear viscoelastic behavior. The frequency of these interactions is assumed to be proportional to the weight ratio of the respective component chains in the blend. Equations of motion are formulated for each component and solved numerically for the relaxation time spectra. Linear viscoelastic properties such as the dynamic mechanical moduli, stress relaxation moduli, and zero-shear viscosity can then be computed for these systems by linear summation of those of the components.

Soong, D.↗

Integrated Simulation Design Challenges to Support TPS Repair Operations

During the Orbiter Repair Maneuver (ORM) operations planned for Return to Flight (RTF), the Shuttle Remote Manipulator System (SRMS) must grapple the International Space Station (ISS), undock the Orbiter, maneuver it through a long duration trajectory, and orient it to an EVA crewman poised at the end of the Space Station Remote Manipulator System (SSRMS) to facilitate the repair of the Thermal Protection System (TPS). Once repair has been completed and confirmed, then the SRMS proceeds back through the trajectory to dock the Orbiter to the Orbiter Docking System. In order to support analysis of the complex dynamic interactions of the integrated system formed by the Orbiter, ISS, SRMS, and SSMS during the ORM, simulation tools used for previous ‘nominal’ mission support required substantial enhancements. These upgrades were necessary to provide analysts with the capabilities needed to study integrated system performance. Prevalent throughout this ORM operation is a dynamically varying topology. In other words, the ORM starts with the SRMS grappled to the mated Shuttle/ISS stack (closed loop topology), moves to an open loop chain topology consisting of the Shuttle, SRMS, and ISS, and then, at the repair configuration, extends the chain topology to one consisting of the Shuttle, SMS, ISS, and SSRMS/EVA crewman. The resulting long dynamic chain of vehicles and manipulators may exhibit significant motion between the Shuttle worksite and the EVA crewman due to the system flexibility throughout the topology (particularly within the SRMS/SSRMS joints and links). Since the attachment points of both manipulators span the flexible structure of the ISS, simulation analysis may also need to take that into consideration. Moreover, due to the lengthy time duration associated with the maneuver and repair, orbital effects become a factor and require the ISS vehicle control system to maintain active attitude control. Several facets of the ORM operation make the associated analytical efforts different from previous mission support, including: (1) the magnitude of the SRMS handled payload (Le., Orbiter class), (2) the orbital effects induced on the integrated system consisting of the large Shuttle and ISS masses connected by a light flexible SRMS, (3) long duration environmental consequences due to the lengthy operational times associated with the maneuver and repair of the TPS, (4) active attitude control (as opposed to free drift) interacting with the SRMS and SSRMS manipulators (also due to the length of the maneuver and repair), (5) relative dynamics between the EVA crewman and thc worksite influenced by the extended flexible topology. In order to meet these analysis challenges, an ORM simulation architecture was developed leveraging upon numerous pre-existing simulation elements to analyze the various subsystems individually. For example, core manipulator subsystem simulations for both the SRMS and SSRMS were originally combined to provide the dual-arm dynamics topology simulation (in the absence of orbital dynamics and vehicle control). This capability was later merged with the simulation used to analyze SRMS loading with a heavy payload in the orbital environment with an active payload control system (in this case, the ISS Attitude Control System (ACS)), configured for the ORM. The resulting worksite dynamics simulation, based off of the modified ORM simulation, provided the extended topological chain of vehicles and manipulators, while taking into account the orbital effects of both the Shuttle and ISS (as well as its ACS). Verification and validation (V&V) of these integrated simulations became a challenge in itself. A systematic approach needed to be developed such that integration simulation results could be tested against previous constituent simulations upon which these simulations were built. General V&V categories included: (1) core orbital state propagation, (2), stand-alone SRMS, (3) stand-alone SSRMS, (4) stand-alone ISS ACS, (5) integrated Shuttle, SRMS, ISS (with active ACS) in the orbital environment, and (5) dual-arm SRMS/SSRMS dynamics topology. Integrated simulation V&V run suites were created and correlated to verification runs from subsystem simulations, in order to establish the validity of the results. This paper discusses the simulation design challenges encountered while developing simulation capabilities to mirror the ORM operations. The paper also describes the incremental build approach that was utilized, starting with the subsystem simulation elements and integration into increasing more complex simulations until the resulting ORM worksite dynamics simulation had been assembled. Furthermore, the paper presents an overall integrated simulation V&V methodology based upon a subsystem level testing, integrated comparisons, and phased checkout.

Thermal Protection System↗

Phase stability of weakly crosslinked interpenerating polymer networks

A phenomenological theory is formulated for chemically quenched binary interpenetrating polymer networks (IPNs), considering both simultaneously crosslinked networks and sequentially crosslinked networks, as well as pseudointerpenetrating networks (where only one component is crosslinked and the other is a linear polymer). The construction of free energy functionals for homogeneous weakly crosslinked IPNs and pseudo-IPNs and their spinodal curves and critical points of unmixing is described. These free energy functionals are augmented with gradient energy terms in order to consider effects due to spatially varying small inhomogeneities in the network chain concentration. The dynamic response and the initial spinodal decomposition of IPNs are discussed.

Binder, K.↗

Visualization of DNA molecules in time during electrophoresis

For several years individual DNA molecules have been observed and photographed during agarose gel electrophoresis. The DNA molecule is clearly the largest molecule known. Nevertheless, the largest molecule is still too small to be seen using a microscope. A technique developed by Morikawa and Yanagida has made it possible to visualize individual DNA molecules. When these long molecules are labeled with appropriate fluorescence dyes and observed under a fluorescence microscope, although it is not possible to directly visualize the local ultrastructure of the molecules, yet because they are long light emitting chains, their microscopic dynamical behavior can be observed. This visualization works in the same principle that enables one to observe a star through a telescope because it emits light against a dark background. The dynamics of individual DNA molecules migrating through agarose matrix during electrophoresis have been described by Smith et al. (1989), Schwartz and Koval (1989), and Bustamante et al. (1990). DNA molecules during agarose gel electrophoresis advance lengthwise thorough the gel in an extended configuration. They display an extension-contraction motion and tend to bunch up in their leading ends as the 'heads' find new pores through the gel. From time to time they get hooked on obstacles in the gel to form U-shaped configurations before they resume their linear configuration.

Lubega, Seth↗

Recursive multibody dynamics and discrete-time optimal control

A recursive algorithm is developed for the solution of the simulation dynamics problem for a chain of rigid bodies. Arbitrary joint constraints are permitted, that is, joints may allow translational and/or rotational degrees of freedom. The recursive procedure is shown to be identical to that encountered in a discrete-time optimal control problem. For each relevant quantity in the multibody dynamics problem, there exists an analog in the context of optimal control. The performance index that is minimized in the control problem is identified as Gibbs' function for the chain of bodies.

Deleuterio, G. M. T.↗

Statistical significance test for transition matrices of atmospheric Markov chains

Low-frequency variability of large-scale atmospheric dynamics can be represented schematically by a Markov chain of multiple flow regimes. This Markov chain contains useful information for the long-range forecaster, provided that the statistical significance of the associated transition matrix can be reliably tested. Monte Carlo simulation yields a very reliable significance test for the elements of this matrix. The results of this test agree with previously used empirical formulae when each cluster of maps identified as a distinct flow regime is sufficiently large and when they all contain a comparable number of maps. Monte Carlo simulation provides a more reliable way to test the statistical significance of transitions to and from small clusters. It can determine the most likely transitions, as well as the most unlikely ones, with a prescribed level of statistical significance.

Vautard, Robert↗

A unifying framework for rigid multibody dynamics and serial and parallel computational issues

A unifying framework for various formulations of the dynamics of open-chain rigid multibody systems is discussed. Their suitability for serial and parallel processing is assessed. The framework is based on the derivation of intrinsic, i.e., coordinate-free, equations of the algorithms which provides a suitable abstraction and permits a distinction to be made between the computational redundancy in the intrinsic and extrinsic equations. A set of spatial notation is used which allows the derivation of the various algorithms in a common setting and thus clarifies the relationships among them. The three classes of algorithms viz., O(n), O(n exp 2) and O(n exp 3) or the solution of the dynamics problem are investigated. Researchers begin with the derivation of O(n exp 3) algorithms based on the explicit computation of the mass matrix and it provides insight into the underlying basis of the O(n) algorithms. From a computational perspective, the optimal choice of a coordinate frame for the projection of the intrinsic equations is discussed and the serial computational complexity of the different algorithms is evaluated. The three classes of algorithms are also analyzed for suitability for parallel processing. It is shown that the problem belongs to the class of N C and the time and processor bounds are of O(log2/2(n)) and O(n exp 4), respectively. However, the algorithm that achieves the above bounds is not stable. Researchers show that the fastest stable parallel algorithm achieves a computational complexity of O(n) with O(n exp 4), respectively. However, the algorithm that achieves the above bounds is not stable. Researchers show that the fastest stable parallel algorithm achieves a computational complexity of O(n) with O(n exp 2) processors, and results from the parallelization of the O(n exp 3) serial algorithm.

Fijany, Amir↗

Stress stiffening and approximate equations in flexible multibody dynamics

A useful model for open chains of flexible bodies undergoing large rigid body motions, but small elastic deformations, is one in which the equations of motion are linearized in the small elastic deformations and deformation rates. For slow rigid body motions, the correctly linearized, or consistent, set of equations can be compared to prematurely linearized, or inconsistent, equations and to 'oversimplified,' or ruthless, equations through the use of open loop dynamic simulations. It has been shown that the inconsistent model should never be used, while the ruthless model should be used whenever possible. The consistent and inconsistent models differ by stress stiffening terms. These are due to zeroth-order stresses effecting virtual work via nonlinear strain-displacement terms. In this paper we examine in detail the nature of these stress stiffening terms and conclude that they are significant only when the associated zeroth-order stresses approach 'buckling' stresses. Finally it is emphasized that when the stress stiffening terms are negligible the ruthlessly linearized equations should be used.

Padilla, Carlos E.↗

A spatial operator algebra for manipulator modeling and control

A powerful new spatial operator algebra for modeling, control, and trajectory design of manipulators is discussed along with its implementation in the Ada programming language. Applications of this algebra to robotics include an operator representation of the manipulator Jacobian matrix; the robot dynamical equations formulated in terms of the spatial algebra, showing the complete equivalence between the recursive Newton-Euler formulations to robot dynamics; the operator factorization and inversion of the manipulator mass matrix which immediately results in O(N) recursive forward dynamics algorithms; the joint accelerations of a manipulator due to a tip contact force; the recursive computation of the equivalent mass matrix as seen at the tip of a manipulator; and recursive forward dynamics of a closed chain system. Finally, additional applications and current research involving the use of the spatial operator algebra are discussed in general terms.

Rodriguez, G.↗

Parallel methods for dynamic simulation of multiple manipulator systems

In this paper, efficient dynamic simulation algorithms for a system of m manipulators, cooperating to manipulate a large load, are developed; their performance, using two possible forms of parallelism on a general-purpose parallel computer, is investigated. One form, temporal parallelism, is obtained with the use of parallel numerical integration methods. A speedup of 3.78 on four processors of CRAY Y-MP8 was achieved with a parallel four-point block predictor-corrector method for the simulation of a four manipulator system. These multi-point methods suffer from reduced accuracy, and when comparing these runs with a serial integration method, the speedup can be as low as 1.83 for simulations with the same accuracy. To regain the performance lost due to accuracy problems, a second form of parallelism is employed. Spatial parallelism allows most of the dynamics of each manipulator chain to be computed simultaneously. Used exclusively in the four processor case, this form of parallelism in conjunction with a serial integration method results in a speedup of 3.1 on four processors over the best serial method. In cases where there are either more processors available or fewer chains in the system, the multi-point parallel integration methods are still advantageous despite the reduced accuracy because both forms of parallelism can then combine to generate more parallel tasks and achieve greater effective speedups. This paper also includes results for these cases.

Mcmillan, Scott↗

Dynamics of Granular Materials

Granular materials exhibit a rich variety of dynamical behavior, much of which is poorly understood. Fractal-like stress chains, convection, a variety of wave dynamics, including waves which resemble capillary waves, l/f noise, and fractional Brownian motion provide examples. Work beginning at Duke will focus on gravity driven convection, mixing and gravitational collapse. Although granular materials consist of collections of interacting particles, there are important differences between the dynamics of a collections of grains and the dynamics of a collections of molecules. In particular, the ergodic hypothesis is generally invalid for granular materials, so that ordinary statistical physics does not apply. In the absence of a steady energy input, granular materials undergo a rapid collapse which is strongly influenced by the presence of gravity. Fluctuations on laboratory scales in such quantities as the stress can be very large-as much as an order of magnitude greater than the mean.

Behringer, Robert P.↗

Using Markov Models of Fault Growth Physics and Environmental Stresses to Optimize Control Actions

A generalized Markov chain representation of fault dynamics is presented for the case that available modeling of fault growth physics and future environmental stresses can be represented by two independent stochastic process models. A contrived but representatively challenging example will be presented and analyzed, in which uncertainty in the modeling of fault growth physics is represented by a uniformly distributed dice throwing process, and a discrete random walk is used to represent uncertain modeling of future exogenous loading demands to be placed on the system. A finite horizon dynamic programming algorithm is used to solve for an optimal control policy over a finite time window for the case that stochastic models representing physics of failure and future environmental stresses are known, and the states of both stochastic processes are observable by implemented control routines. The fundamental limitations of optimization performed in the presence of uncertain modeling information are examined by comparing the outcomes obtained from simulations of an optimizing control policy with the outcomes that would be achievable if all modeling uncertainties were removed from the system.

Bole, Brian↗

An analysis of general chain systems

A general analysis of dynamic systems consisting of connected rigid bodies is presented. The number of bodies and their manner of connection is arbitrary so long as no closed loops are formed. The analysis represents a dynamic finite element method, which is computer-oriented and designed so that nonworking, interval constraint forces are automatically eliminated. The method is based upon Lagrange's form of d'Alembert's principle. Shifter matrix transformations are used with the geometrical aspects of the analysis. The method is illustrated with a space manipulator.

Passerello, C. E.↗

[Using Molecular Simulations to Understand Complex Nanoscale Dynamic Phenomena in Polymer Solutions]

The first half of the project concentrated on molecular simulation studies of the translocation of model molecules for single-stranded DNA through a nanosized pore. This has resulted in the publication, Translocation of a polymer chain across a nanopore: A Brownian dynamics simulation study, by Pu Tian and Grant D. Smith, JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBER 21 1 DECEMBER 2003, which is attached to this report. In this work we carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient) designed to mimic an electrostatic field. The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient). We focused on the latter case in our studies. Calculation of radius of gyration of the translocating chain at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tube-like pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied. Attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

Smith, Grant↗

Mechanical continuity and reversible chromosome disassembly within intact genomes removed from living cells

Chromatin is thought to be structurally discontinuous because it is packaged into morphologically distinct chromosomes that appear physically isolated from one another in metaphase preparations used for cytogenetic studies. However, analysis of chromosome positioning and movement suggest that different chromosomes often behave as if they were physically connected in interphase as well as mitosis. To address this paradox directly, we used a microsurgical technique to physically remove nucleoplasm or chromosomes from living cells under isotonic conditions. Using this approach, we found that pulling a single nucleolus or chromosome out from interphase or mitotic cells resulted in sequential removal of the remaining nucleoli and chromosomes, interconnected by a continuous elastic thread. Enzymatic treatments of interphase nucleoplasm and chromosome chains held under tension revealed that mechanical continuity within the chromatin was mediated by elements sensitive to DNase or micrococcal nuclease, but not RNases, formamide at high temperature, or proteases. In contrast, mechanical coupling between mitotic chromosomes and the surrounding cytoplasm appeared to be mediated by gelsolin-sensitive microfilaments. Furthermore, when ion concentrations were raised and lowered, both the chromosomes and the interconnecting strands underwent multiple rounds of decondensation and recondensation. As a result of these dynamic structural alterations, the mitotic chains also became sensitive to disruption by restriction enzymes. Ion-induced chromosome decondensation could be blocked by treatment with DNA binding dyes, agents that reduce protein disulfide linkages within nuclear matrix, or an antibody directed against histones. Fully decondensed chromatin strands also could be induced to recondense into chromosomes with pre-existing size, shape, number, and position by adding anti-histone antibodies. Conversely, removal of histones by proteolysis or heparin treatment produced chromosome decondensation which could be reversed by addition of histone H1, but not histones H2b or H3. These data suggest that DNA, its associated protein scaffolds, and surrounding cytoskeletal networks function as a structurally-unified system. Mechanical coupling within the nucleoplasm may coordinate dynamic alterations in chromatin structure, guide chromosome movement, and ensure fidelity of mitosis.

NASA Discipline Cell Biology↗

Properties of earthquakes generated by fault dynamics

A model for fault dynamics consisting of a uniform chain of blocks and springs pulled slowly across a rough surface is presented. The only nonlinear element of the model is a slip-stick friction force between the blocks and the surface. It is found that this model gives rise to events of all sizes. The numerical evaluation of the distribution of earthquake magnitudes results in a power-law spectrum similar to what is observed in nature. Like certain other dissipative dynamical systems, the observed large fluctuations in earthquake magnitude persist because the system is in a state of marginal stability.

Carlson, J. M.↗

Kinematics and dynamics of a six-degree-of-freedom robot manipulator with closed kinematic chain mechanism

This paper deals with a class of robot manipulators built based on the kinematic chain mechanism (CKCM). This class of CKCM manipulators consists of a fixed and a moving platform coupled together via a number of in-parallel actuators. A closed-form solution is derived for the inverse kinematic problem of a six-degre-of-freedom CKCM manipulator designed to study robotic applications in space. Iterative Newton-Raphson method is employed to solve the forward kinematic problem. Dynamics of the above manipulator is derived using the Lagrangian approach. Computer simulation of the dynamical equations shows that the actuating forces are strongly dependent on the mass and centroid of the robot links.

Nguyen, Charles C.↗

On reliable control system designs

A mathematical model for use in the design of reliable multivariable control systems is discussed with special emphasis on actuator failures and necessary actuator redundancy levels. The model consists of a linear time invariant discrete time dynamical system. Configuration changes in the system dynamics are governed by a Markov chain that includes transition probabilities from one configuration state to another. The performance index is a standard quadratic cost functional, over an infinite time interval. The actual system configuration can be deduced with a one step delay. The calculation of the optimal control law requires the solution of a set of highly coupled Riccati-like matrix difference equations. Results can be used for off-line studies relating the open loop dynamics, required performance, actuator mean time to failure, and functional or identical actuator redundancy, with and without feedback gain reconfiguration strategies.

Birdwell, J. D.↗