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Automatic labeling and characterization of objects using artificial neural networks

Existing NASA supported scientific data bases are usually developed, managed and populated in a tedious, error prone and self-limiting way in terms of what can be described in a relational Data Base Management System (DBMS). The next generation Earth remote sensing platforms, i.e., Earth Observation System, (EOS), will be capable of generating data at a rate of over 300 Mbs per second from a suite of instruments designed for different applications. What is needed is an innovative approach that creates object-oriented databases that segment, characterize, catalog and are manageable in a domain-specific context and whose contents are available interactively and in near-real-time to the user community. Described here is work in progress that utilizes an artificial neural net approach to characterize satellite imagery of undefined objects into high-level data objects. The characterized data is then dynamically allocated to an object-oriented data base where it can be reviewed and assessed by a user. The definition, development, and evolution of the overall data system model are steps in the creation of an application-driven knowledge-based scientific information system.

Campbell, William J.↗

The Dynamics of Some Iterative Implicit Schemes

The global asymptotic nonlinear behavior of some standard iterative procedures in solving nonlinear systems of algebraic equations arising from four implicit linear multistep methods (LMMs) in discretizing 2 x 2 systems of first-order autonomous nonlinear ordinary differential equations is analyzed using the theory of dynamical systems. With the aid of parallel Connection Machines (CM-2 and CM-5), the associated bifurcation diagrams as a function of the time step, and the complex behavior of the associated 'numerical basins of attraction' of these iterative implicit schemes are revealed and compared. Studies showed that all of the four implicit LMMs exhibit a drastic distortion and segmentation but less shrinkage of the basin of attraction of the true solution than standard explicit methods. The numerical basins of attraction of a noniterative implicit procedure mimic more closely the basins of attraction of the differential equations than the iterative implicit procedures for the four implicit LMMs.

Yee, H. C.↗

Alongfront Variability of Precipitation Associated with a Midlatitude Frontal Zone: TRMM Observations and MM5 Simulation

On 19 February 2001, the Tropical Rainfall Measuring Mission (TRMM) satellite observed complex alongfront variability in the precipitation structure of an intense cold-frontal rainband. The TRMM Microwave Imager brightness temperatures suggested that, compared to the northern and southern ends of the rainband, a greater amount of precipitation ice was concentrated in the middle portion of the rainband where the front bowed out. A model simulation conducted using the fifth-generation Pennsylvania State University National Center for Atmospheric Research (PSU NCAR) Mesoscale Model (MM5) is examined to explain the distribution of precipitation associated with the cold-frontal rainband. The simulation reveals that the enhanced precipitation ice production and the implied mean ascent along the central part of the front were associated with a synergistic interaction between a low-level front and an upper-level front associated with an intrusion of high-PV stratospheric air. The low-level front contributed to an intense bow-shaped narrow cold-frontal rainband (NCFR). The upper-level front was dynamically active only along the central to northern portion of the NCFR, where the upper-level PV advection and Q-vector convergence were most prominent. The enhanced mean ascent associated with the upper-level front contributed to a wide cold-frontal rainband (WCFR) that trailed or overlapped with the NCFR along its central to northern segments. Because of the combination of the forcing from both lower- and upper-level fronts, the ascent was deepest and most intense along the central portion of the front. Thus, a large concentration of precipitation ice, attributed to both the NCFR and WCFR, was produced.

Han, Mei↗

Reconfigurable Framework for Resilient Semantic Segmentation for Space Applications

Deep learning (DL) presents new opportunities for enabling spacecraft autonomy, onboard analysis, and intelligent applications for space missions. However, DL applications are computationally intensive and often infeasible to deploy on radiation-hardened (rad-hard) processors, which traditionally harness a fraction of the computational capability of their commercial-off-the-shelf counterparts. Commercial FPGAs and system-on-chips present numerous architectural advantages and provide the computation capabilities to enable onboard DL applications; however, these devices are highly susceptible to radiation-induced single-event effects (SEEs) that can degrade the dependability of DL applications. In this article, we propose Reconfigurable ConvNet (RECON), a reconfigurable acceleration framework for dependable, high-performance semantic segmentation for space applications. In RECON, we propose both selective and adaptive approaches to enable efficient SEE mitigation. In our selective approach, control-flow parts are selectively protected by triple-modular redundancy to minimize SEE-induced hangs, and in our adaptive approach, partial reconfiguration is used to adapt the mitigation of dataflow parts in response to a dynamic radiation environment. Combined, both approaches enable RECON to maximize system performability subject to mission availability constraints. We perform fault injection and neutron irradiation to observe the susceptibility of RECON and use dependability modeling to evaluate RECON in various orbital case studies to demonstrate a 1.5–3.0× performability improvement in both performance and energy efficiency compared to static approaches.

97 MATHEMATICS AND COMPUTING↗

Comparing Theoretically Scaled Biomechanical Models

BACKGROUND An investigation into incorporating space suit aspects required a 50th-percentile male model which was not part of the existing dataset of models. Previously, theoretical models for 5th-percentile female and 95th-percentile male were created utilizing a scaled test subject as close as possible to the target height and weight. Scaling factors were created by taking the height ratio and applying it uniformly to the model body segments, then fine tuning to ensure the theoretical model’s height is as expected. This study was initiated to examine the existing method of isometrically scaling in OpenSim [1,2] and to create alternative methods which do not rely on an existing subject being close in height and weight to the theoretical model of interest. Generating a theoretical biomechanical model provides additional abilities without the reliance on available OpenSim models or real subjects. Gained abilities include creating different percentile models and attaining representative anthropometry for any target height/weight, such as targeting specific crew populations or gaps within the current dataset. METHODS AND RESULTS This study includes 3 methods for generating the theoretical model; utilizing the modified unscaled OpenSim Full Body Rajagopal Model (FBRM) [3,4], a dataset of scaled OpenSim models, and existing scaling factors from Dumas et al. [5]. All methods use the Anthropometric Survey of US Army Personnel (ANSUR II) [6] as an input of necessary anthropometric measurements. The following measurements are retrieved from the ANSUR II collection: mass, stature, cervicale height, acromial height, axilla height, waist height, trochanterion height, lateral femoral epicondyle height, lateral malleolus height, acromion-radiale length, radiale-stylion length, palm length, ball of foot length, bicristal breadth, bimalleolar breadth. Some of the measurements are direct segment lengths and others are utilized to derive segment lengths. Height, weight, and age ranges are the required inputs to parse the collection for a mean value of the measurements. A simple iterative process may be necessary for the output of mean mass and stature consistent with the theoretical model of interest. In some cases, one may specify exact values instead of a range but that is dependent upon whether those exact values pertain to a single subject from the ANSUR II collection. Equations from Dumas et al. were used to calculate scaling factors for the two methods that utilize OpenSim scaled and unscaled models. In the third method, Dumas’ scaling factors were used directly instead of generating our own. After scaling factors are achieved, they are applied along with the mass and segment lengths retrieved from ANSUR II in order to calculate the segment mass, Center of Mass (CoM), mass Moment of Inertia (MoI), and the joint location in the parent frame. The theoretical models from the different methods were compared to the previous existing method of isometrically scaling in OpenSim, as well as the standards found in NASA STD-3000 [7] and the NASA Human Integration Design Handbook [8]. The whole-body center of mass is the main comparison performed between the models and the standards. The body segment mass properties were also compared when possible. In some cases, the standards do not provide complete data, or the center of mass location is not provided with respect to the appropriate joint coordinate system. For a 50th-percentile male subject, results from isometric scaling in OpenSim and the method utilizing the unscaled FBRM were compared to the standards in NASA STD-3000. According to the standard, the whole-body vertical CoM location was taken from the head vertex to the CoM. The standards provide 80.2 cm for the CoM vertical component whereas isometric scaling in OpenSim and utilizing the unscaled FBRM provide 82.2 and 82.3 cm, respectively. Through definition, the whole-body CoM in the medial/lateral direction agreed across the models. Investigation is on-going to clearly identify the reference point pertaining to dorsal/ventral whole-body CoM position in standards and relate that to the theoretical models. REFERENCES [1] Delp, S.L., et al., “OpenSim: Open-source Software to Create and Analyze Dynamic Simulations of Movement”, IEEE Transactions on Biomedical Engineering, (2007). [2] Seth, A., Hicks J.L., Uchida, T.K., Habib, A., Dembia, C.L., Dunne, J.J., Ong, C.F., DeMers, M.S., Rajagopal, A., Millard, M., Hamner, S.R., Arnold, E.M., Yong, J.R., Lakshmikanth, S.K., Sherman,n M.A., Delp, S.L. OpenSim: Simulating musculoskeletal dynamics and neuromuscular control to study human and animal movement. Plos Computational Biology, 14(7). (2018) [3] R. K. Huffman, W. K. Thompson, C. A. Gallo, L. J. Quiocho, “Improvement of Scaling and Inverse Kinematic Results with Additional Upper Body Joints Added to Opensim Rajagopal Model”, NASA Human Research Program Investigator’s Workshop, (2019). [4] Huffman R.K., Thompson W., Gallo C., “Modified OpenSim Rajagopal Full Body Model”, New Technology Report, MSC-26872-1. (August 2020). [5] Dumas R., Cheze L. and Verriest J., 2007. “Adjustments to McConville et al. and Young et al. body segment inertial parameters”. Journal of Biomechanics 40, pp. 543-553 [6] Gordon C.C., 2012 “Anthropometric Survey of U.S. Army Personnel: Methods and Summary Statistics”, US Army Natick Soldier RD&E Center. [7] NASA STD-3000/REV-B, 1995. “The Man-System Integration Standards” [8] NASA/SP-2010-3407/REV-1, 2014. “The Human Integration Design Handbook (HIDH)”

F N Matari↗

Air-breathing hypersonic vehicle guidance and control studies; An integrated trajectory/control analysis methodology: Phase 1

A tool which generates optimal trajectory/control histories in an integrated manner is generically adapted to the treatment of single-stage-to-orbit air-breathing hypersonic vehicles. The methodology is implemented as a two point boundary value problem solution technique. Its use permits an assessment of an entire near-minimum-fuel trajectory and desired control strategy from takeoff to orbit while satisfying physically derived inequality constraints and while achieving efficient propulsive mode phasing. A simpler analysis strategy that partitions the trajectory into several boundary condition matched segments is also included to construct preliminary trajectory and control history representations with less computational burden than is required for the overall flight profile assessment. A demonstration was accomplished using a tabulated example (winged-cone accelerator) vehicle model that is combined with a newly developed multidimensional cubic spline data smoothing routine. A constrained near-fuel-optimal trajectory, imposing a dynamic pressure limit of 1000 psf, was developed from horizontal takeoff to 20,000 ft/sec relative air speed while aiming for a polar orbit. Previously unspecified propulsive discontinuities were located. Flight regimes demanding rapid attitude changes were identified, dictating control effector and closed-loop controller authority was ascertained after evaluating effector use for vehicle trim. Also, inadequacies in vehicle model representations and specific subsystem models with insufficient fidelity were determined based on unusual control characteristics and/or excessive sensitivity to uncertainty.

Hattis, Philip D.↗

Analysis of the Command and Control Segment (CCS) attitude estimation algorithm

This paper categorizes the qualitative behavior of the Command and Control Segment (CCS) differential correction algorithm as applied to attitude estimation using simultaneous spin axis sun angle and Earth cord length measurements. The categories of interest are the domains of convergence, divergence, and their boundaries. Three series of plots are discussed that show the dependence of the estimation algorithm on the vehicle radius, the sun/Earth angle, and the spacecraft attitude. Common qualitative dynamics to all three series are tabulated and discussed. Out-of-limits conditions for the estimation algorithm are identified and discussed.

Stockwell, Catherine↗

Insights Into Thermal Runaway Mechanisms: Fast Tomography Analysis of Metal Agglomerates in Lithium-Ion Batteries

Thermal Runaway (TR) in lithium-ion batteries (LIB) is a critical technological and social concern. Whilst such events are rare, TR is characterized by uncontrollable heating leading to catastrophic failures. To deepen the understanding of the failure process and subsequently develop more accurate TR prediction models and as a result safer battery systems, we present in this work high-speed X-ray tomography for in-depth investigations of the copper current collector melting and agglomeration during TR. The melting process presents valuable real-time internal information about heat evolution during TR, previously challenging to access but crucially important for validating TR models. In this work, controlled failure studies combined with high-speed X-ray tomography were performed on two different commercial LIB models, subjecting them to both external heating and nail penetration to induce TR. Through real-time observation via high-speed tomography, followed by segmentation, rendering, and analysis, the formation of copper agglomerates was qualitatively and quantitatively characterized and visualized for the first time. Agglomerates tended to form either from the battery's outermost layers or centrally, depending on the method of TR initiation, and gives an indirect insight into the internal temperature evolution and distribution. Moreover, an initial comparative analysis between the battery models also revealed differences in agglomerate size, which has been linked to the thicker copper current collectors of one of the cell models. We further discuss the impact of larger copper agglomerates on heat distribution and safety. This study not only sheds light on the intricate dynamics of TR in LIBs but also underscores the pivotal role of 'gold-standard' imaging techniques in advancing battery safety, crucial for the robust modeling of TR and the future design of electric vehicle safety systems.

25 ENERGY STORAGE↗

Postflight Quiet Stance Stability of Astronauts Following Recovery From a Simulated Fall

INTRODUCTION: Astronauts returning from space flight universally present with postural ataxia. Throughout the Space Shuttle Program, measurement of ataxia has concentrated on sway in the anterior-posterior plane. Implementation of an interdisciplinary pre- and postflight study (Functional Task Test, FTT) designed to evaluate both astronaut postflight functional performance and related physiological changes has allowed the investigation of postural instability by characterizing dynamic stabilographic sway patterns. METHODS: Six astronauts from short-duration (Shuttle) and three from long-duration (ISS) flights were required to recover from a simulated fall. Subjects with eyes open, wearing running shoes lay prone on the floor for 2 minutes and then quickly stood up, maintained a quiet stance for 3 minutes, arms relaxed along the side of the body, and feet comfortably placed on the force plate. Crewmembers were tested twice before flight, on landing day (Shuttle only), and 1, 6, and 30 days after flight. Anterior-posterior (AP) and medial-lateral (ML) center-of-pressure (COP) coordinates were calculated from the ground reaction forces collected at 500 Hz. The 3-minute quiet stance trial was broken into three 1-minute segments for stabilogram diffusion analysis. A mean sway speed (rate of change of COP displacement) was also calculated as an additional postural stability parameter. RESULTS/CONCLUSION: While there was considerable variation, most of crewmembers tested exhibited increased stochastic activity evidenced by larger short-term COP diffusion coefficients postflight in both the AP and ML planes, suggesting significant changes in postural control mechanisms, particularly control of lower limb muscle function. As expected, postural instability of ISS astronauts on the first day postflight was similar to that of Shuttle crewmembers on landing day. Recoveries of stochastic activity and mean sway speed to baseline levels were typically observed by the 30th day postflight for both long-duration and short-duration crewmembers. Dynamic postural stability characteristics obtained in this low-impact study complement the data measured with computerized dynamic posturography.

Reschke, M. F.↗

Implementation of a Model Predictive Control Strategy to Regulate Temperature Inside Plug-Flow Solar Reactor With Countercurrent Flow

Abstract Solar-driven thermochemical energy storage systems are proven to be promising energy carriers (solar fuels) to utilize solar energy by using reactive solid-state pellets. However, the production of solar fuel requires a quasi-steady-state process temperature, which represents the main challenge due to the transient nature of solar power. In this work, an adaptive model predictive controller (MPC) is presented to regulate the temperature inside a tubular solar reactor to produce solid-state solar fuel for long-term thermal storage systems. The solar reactor system consists of a vertical tube heated circumferentially over a segment of its length by concentrated solar power, and the reactive pellets (MgMn2O4) are fed from the top end and flow downwards through the heated tube. A countercurrent flowing gas supplied from the lower end interacts with flowing pellets to reduce it thermochemically at a temperature range of 1000—1500 °C. A low-order physical model was developed to simulate the dynamics of the solar reactor including the reaction kinetics, and the proposed model was validated numerically by using a 7-kW electric furnace. The numerical model then was utilized to design the MPC controller, where the control system consists of an MPC code linked to an adaptive system identification code that updates system parameters online to ensure system robustness against external disturbances (sudden change in the flow inside the reactor), model mismatches, and uncertainty. The MPC controller parameters are tuned to enhance the system performance with minimum steady-state error and overshoot. The controller is tested to track different temperature ranges between 500 °C and 1400 °C with different particles/gas mass flowrates and ramping temperature profiles. Results show that the MPC controller successfully regulated the reactor temperature within ± 1 °C of its setpoint and maintained robust performance with minimum input effort when subjected to sudden changes in the amount of flowing media and the presence of chemical reaction.

Engineering↗

Numerical solution of stiff systems of ordinary differential equations with applications to electronic circuits

Systems of ordinary differential equations in which the magnitudes of the eigenvalues (or time constants) vary greatly are commonly called stiff. Such systems of equations arise in nuclear reactor kinetics, the flow of chemically reacting gas, dynamics, control theory, circuit analysis and other fields. The research reported develops an A-stable numerical integration technique for solving stiff systems of ordinary differential equations. The method, which is called the generalized trapezoidal rule, is a modification of the trapezoidal rule. However, the method is computationally more efficient than the trapezoidal rule when the solution of the almost-discontinuous segments is being calculated.

Rosenbaum, J. S.↗

Regulation of the EphA2 receptor intracellular region by phosphomimetic negative charges in the kinase-SAM linker

Eph receptor tyrosine kinases play a key role in cell-cell communication. Lack of structural information on the entire multi-domain intracellular region of any Eph receptor has hindered understanding of their signaling mechanisms. Here, we use integrative structural biology to investigate the structure and dynamics of the EphA2 intracellular region. EphA2 promotes cancer malignancy through a poorly understood non-canonical form of signaling involving serine/threonine phosphorylation of the linker connecting its kinase and SAM domains. We show that accumulation of multiple linker negative charges, mimicking phosphorylation, induces cooperative changes in the EphA2 intracellular region from more closed to more extended conformations and perturbs the EphA2 juxtamembrane segment and kinase domain. In cells, linker negative charges promote EphA2 oligomerization. We also identify multiple kinases catalyzing linker phosphorylation. Our findings suggest multiple effects of linker phosphorylation on EphA2 signaling and imply that coordination of different kinases is necessary to promote EphA2 non-canonical signaling.

59 BASIC BIOLOGICAL SCIENCES↗

Shuttle Upgrade Using 5-Segment Booster (FSB)

In support of NASA's continuing effort to improve the over-all safety and reliability of the Shuttle system- a 5-segment booster (FSB) has been identified as an approach to satisfy that overall objective. To assess the feasibility of a 5-segment booster approach, NASA issued a feasibility study contract to evaluate the potential of a 5-segment booster to improve the overall capability of the Shuttle system, especially evaluating the potential to increase the system reliability and safety. In order to effectively evaluate the feasibility of the 5-segment concept, a four-member contractor team was established under the direction of NASA Marshall Space Flight Center (MSFC). MSFC provided the overall program oversight and integration as well as program contractual management. The contractor team consisted of Thiokol, Boeing North American Huntington Beach (BNA), Lockheed Martin Michoud Space Systems (LMMSS) and United Space Alliance (USA) and their subcontractor bd Systems (Control Dynamics Division, Huntsville, AL). United Space Alliance included the former members of United Space Booster Incorporated (USBI) who managed the booster element portion of the current Shuttle solid rocket boosters. Thiokol was responsible for the overall integration and coordination of the contractor team across all of the booster elements. They were also responsible for all of the motor modification evaluations. Boeing North American (BNA) was responsible for all systems integration analyses, generation of loads and environments. and performance and abort mode capabilities. Lockheed Martin Michoud Space Systems (LMMSS) was responsible for evaluating the impacts of any changes to the booster on the external tank (ET), and evaluating any design changes on the external tank necessary to accommodate the FSB. USA. including the former USBI contingent. was responsible for evaluating any modifications to facilities at the launch site as well as any booster component design modifications.

Sauvageau, Donald R.↗

Payload Operations Center - Lessons from Commercial Engagement

The International Space Station (ISS) Payload Operations and Integration Center (POIC) at NASA's Marshall Space Flight Center (MSFC) in Huntsville, Alabama, United States, has gone through an evolution from supporting exclusively government ISS users to providing 50% (or more) of their support to commercial users. At the same time, they have expanded ground and facility operations to support a United States Orbital Segment crew expansion from three to four astronauts allowing an additional of 34 hours crew time per week. These additional hours are dedicated to utilization and have already surpassed the 100 hour peak weekly milestone in July 2018. This paper discusses the Center's changes in planning, staffing, coordination, and operations while addressing topics from the addition of secondary flight control positions to dynamic operations product reviews. MSFC's Human Exploration and Development Operations Office, which manages payload operations, seeks through this paper to highlight the higher priority commercial users now receive in replanning and in additional crew time.

Watkins, Bobby J.↗

A Simple Postflight Measure of Postural Atania in Astronauts

Astronauts returning from space flight universally present with postural ataxia. Throughout the Space Shuttle Program, measurement of ataxia has concentrated on sway in the anterior-posterior (AP) plane. The current investigation, as a part of a larger functional study, concentrated on characterizing postural instability using dynamic stabilographic sway patterns in both the AP and medial-lateral (ML) planes. To accomplish this goal, six astronauts from short-duration (Shuttle) and three from long-duration (ISS) flights were required to recover from a simulated fall. Subjects with eyes open, wearing running shoes lay prone on the floor for 2 minutes and then quickly stood up, maintained a quiet stance for 3 minutes, arms relaxed along the side of the body, and feet comfortably placed on the force plate. Crewmembers were tested twice before flight, on landing day (Shuttle only), and 1, 6, and 30 days after flight. Anterior-posterior and ML center-of-pressure (COP) coordinates were calculated from the ground reaction forces collected at 500 Hz. The 3-minute quiet stance trial was broken into three 1-minute segments for stabilogram diffusion analysis. A mean sway speed (rate of change of COP displacement) was also calculated as an additional postural stability parameter. While there was considerable variation, most of crewmembers tested exhibited increased stochastic activity evidenced by larger short-term COP diffusion coefficients postflight in both the AP and ML planes, suggesting significant changes in postural control mechanisms, particularly control of lower limb muscle function. As expected, postural instability of ISS astronauts on the first day postflight was similar to that of Shuttle crewmembers on landing day. Recoveries of stochastic activity and mean sway speed to baseline levels were typically observed by the 30th day postflight for both long-duration and short-duration crewmembers. Dynamic postural stability characteristics obtained in this low-impact study complement the data measured with computerized dynamic posturography.

Reschke, M. F.↗

Design considerations of PSR moderate focus-mission structure

A supporting space-frame has been designed for the segmented panels, secondary reflector, control system, and interface hardware of a near-term Precision Segmented Reflector (PSR) telescope. In addition to meeting areal mass density, vibration frequency, thermal expansion, positioning accuracy, and interface attachment design goals, the PSR structure must withstand Atlas launch loads. Analyses have been conducted of the optical pointing-related structural performance of the Moderate Focus Mission Structure (MFMS), with a view to both mechanical and thermal disturbance analyses; the results indicate that the dynamic responses of the MFMS optical mirrors, due to the chopping disturbance of the secondary reflector about its center-of-mass, are within maintenance sensor requirements.

Shih, Choon-Foo↗

Machine-Learning-Based Adaptive Thinning of CrIS Radiances to Improve Global Tropical Cyclone Analysis and Forecasts

This work is focused on optimizing the assimilation of hyperspectral infrared (IR) radiances from the Cross-track Infrared Sounder (CrIS) with the goal of improving the representation of tropical cyclones (TCs) in global analyses and forecasts. Current operational assimilation systems rely on subsampling IR radiances on a regular thinning grid. A new and improved adaptive methodology based on machine learning (ML) recognizes TCs from geostationary satellite imagery and is implemented in the Goddard Earth Observing System (GEOS) model and data assimilation framework. The ML methodology is extensively trained on existing TC data sets and creates for each TC a dynamic mask, based on the evolving shape and life cycle of that specific event. Once a TC mask is created, a switch is then activated in the data assimilation system to alter the thinning, ingesting more CrIS radiances within the moving mask, thus increasing the TC sampling. After the TC dissipates, the assimilation of CrIS radiances reverts to normal data density. Results of TC segmentation provided by a state-of-the-art generative machine learning model known as the Denoising Diffusion Probabilistic Model (DDPM) are compared to the previously used U-Net model. The new approach surpasses the performance of the previously developed one. The methodology is applied to both clear-sky and cloud-cleared radiances. Benefits from the latter methodology, particularly in improving the structure of TCs and the intensity forecasts, are presented.

Oreste Reale↗

Effects of Tethered Polymers on Dynamics of Nanoparticles in Unentangled Polymer Melts

Polymer-tethered nanoparticles (NPs) are commonly added to a polymer matrix to improve the material properties. Critical to the fabrication and processing of such composites is the mobility of the tethered NPs. Here, we study the motion of tethered NPs in unentangled polymer melts using molecular dynamics simulations, which offer a precise control of the grafted chain length N g and the number z of grafted chains per particle. As Ng increases, there is a crossover from particle-dominated to tethered-chain-dominated terminal diffusion of NPs with the same z. The mean squared displacement of loosely tethered NPs in the case of tethered-chain-dominated terminal diffusion exhibits two subdiffusive regimes at intermediate time scales for small z. The first one at shorter time scales arises from the dynamical coupling of the particle and matrix chains, while the one at longer time scales is due to the participation of the particle in the dynamics of the tethered chains. The friction of loosely grafted chains in unentangled melts scales linearly with the total number of monomers in the chains, as the friction of individual monomers is additive in the absence of hydrodynamic coupling. As more chains are grafted to a particle, hydrodynamic interactions between grafted chains emerge. As a result, there is a nondraining layer of hydrodynamically coupled chain segments surrounding the bare particle. Outside the nondraining layer is a free-draining layer of grafted chain segments with no hydrodynamic coupling. The boundary of the two layers is the stick surface where the shear stress due to the relative melt flow is balanced by the friction between the grafted and melt chains in the interpenetration layer. The stick surface is located further away from the bare surface of the particle with higher grafting density.

42 ENGINEERING↗