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Sample records for polymers theory manufacturing

  1. Reactive polymer fused deposition manufacturing

    DOEpatents

    Kunc, Vlastimil; Rios, Orlando; Love, Lonnie J.; Duty, Chad E.; Johs, Alexander

    2017-05-16

    Methods and compositions for additive manufacturing that include reactive or thermosetting polymers, such as urethanes and epoxies. The polymers are melted, partially cross-linked prior to the depositing, deposited to form a component object, solidified, and fully cross-linked. These polymers form networks of chemical bonds that span the deposited layers. Application of a directional electromagnetic field can be applied to aromatic polymers after deposition to align the polymers for improved bonding between the deposited layers.

  2. Optical Vectorial Vortex Coronagraphs using Liquid Crystal Polymers: theory, manufacturing and laboratory demonstration.

    PubMed

    Mawet, D; Serabyn, E; Liewer, K; Hanot, Ch; McEldowney, S; Shemo, D; O'Brien, N

    2009-02-02

    In this paper, after briefly reviewing the theory of vectorial vortices, we describe our technological approach to generating the necessary phase helix, and report results obtained with the first optical vectorial vortex coronagraph (OVVC) in the laboratory. To implement the geometrical phase ramp, we make use of Liquid Crystal Polymers (LCP), which we believe to be the most efficient technological path to quickly synthesize optical vectorial vortices of virtually any topological charge. With the first prototype device of topological charge 2, a maximum peak-to-peak attenuation of 1.4x10(-2) and a residual light level of 3x10(-5) at an angular separation of 3.5 lambda/d (at which point our current noise floor is reached) have been obtained at a wavelength of 1.55 microm. These results demonstrate the validity of using space-variant birefringence distributions to generate a new family of coronagraphs usable in natural unpolarized light, opening a path to high performance coronagraphs that are achromatic and have low-sensitivity to low-order wavefront aberrations.

  3. Breaking Barriers in Polymer Additive Manufacturing

    SciTech Connect

    Love, Lonnie J; Duty, Chad E; Post, Brian K; Lind, Randall F; Lloyd, Peter D; Kunc, Vlastimil; Peter, William H; Blue, Craig A

    2015-01-01

    Additive Manufacturing (AM) enables the creation of complex structures directly from a computer-aided design (CAD). There are limitations that prevent the technology from realizing its full potential. AM has been criticized for being slow and expensive with limited build size. Oak Ridge National Laboratory (ORNL) has developed a large scale AM system that improves upon each of these areas by more than an order of magnitude. The Big Area Additive Manufacturing (BAAM) system directly converts low cost pellets into a large, three-dimensional part at a rate exceeding 25 kg/h. By breaking these traditional barriers, it is possible for polymer AM to penetrate new manufacturing markets.

  4. Additive manufacturing of polymer-derived ceramics.

    PubMed

    Eckel, Zak C; Zhou, Chaoyin; Martin, John H; Jacobsen, Alan J; Carter, William B; Schaedler, Tobias A

    2016-01-01

    The extremely high melting point of many ceramics adds challenges to additive manufacturing as compared with metals and polymers. Because ceramics cannot be cast or machined easily, three-dimensional (3D) printing enables a big leap in geometrical flexibility. We report preceramic monomers that are cured with ultraviolet light in a stereolithography 3D printer or through a patterned mask, forming 3D polymer structures that can have complex shape and cellular architecture. These polymer structures can be pyrolyzed to a ceramic with uniform shrinkage and virtually no porosity. Silicon oxycarbide microlattice and honeycomb cellular materials fabricated with this approach exhibit higher strength than ceramic foams of similar density. Additive manufacturing of such materials is of interest for propulsion components, thermal protection systems, porous burners, microelectromechanical systems, and electronic device packaging. Copyright © 2016, American Association for the Advancement of Science.

  5. Additive manufacturing of polymer-derived ceramics

    NASA Astrophysics Data System (ADS)

    Eckel, Zak C.; Zhou, Chaoyin; Martin, John H.; Jacobsen, Alan J.; Carter, William B.; Schaedler, Tobias A.

    2016-01-01

    The extremely high melting point of many ceramics adds challenges to additive manufacturing as compared with metals and polymers. Because ceramics cannot be cast or machined easily, three-dimensional (3D) printing enables a big leap in geometrical flexibility. We report preceramic monomers that are cured with ultraviolet light in a stereolithography 3D printer or through a patterned mask, forming 3D polymer structures that can have complex shape and cellular architecture. These polymer structures can be pyrolyzed to a ceramic with uniform shrinkage and virtually no porosity. Silicon oxycarbide microlattice and honeycomb cellular materials fabricated with this approach exhibit higher strength than ceramic foams of similar density. Additive manufacturing of such materials is of interest for propulsion components, thermal protection systems, porous burners, microelectromechanical systems, and electronic device packaging.

  6. The Importance of Carbon Fiber to Polymer Additive Manufacturing

    SciTech Connect

    Love, Lonnie J; Kunc, Vlastimil; Rios, Orlando; Duty, Chad E; Post, Brian K; Blue, Craig A

    2014-01-01

    Additive manufacturing holds tremendous promise in terms of revolutionizing manufacturing. However, fundamental hurdles limit mass adoption of the technology. First, production rates are extremely low. Second, the physical size of parts is generally small, less than a cubic foot. Third, while there is much excitement about metal additive manufacturing, the major growth area is in polymer additive manufacturing systems. Unfortunately, the mechanical properties of the polymer parts are poor, limiting the potential for direct part replacement. To address this issue, we describe three benefits of blending carbon fiber with polymer additive manufacturing. First, development of carbon fiber reinforced polymers for additive manufacturing achieves specific strengths approaching aerospace quality aluminum. Second, carbon fiber radically changes the behavior of the material during deposition, enabling large scale, out-of-the-oven, high deposition rate manufacturing. Finally, carbon fiber technology and additive manufacturing complement each other. Merging the two manufacturing processes enables the construction of complex components that would not be possible otherwise.

  7. Continuum theory of polymer crystallization.

    PubMed

    Kundagrami, Arindam; Muthukumar, M

    2007-04-14

    We present a kinetic model of crystal growth of polymers of finite molecular weight. Experiments help to classify polymer crystallization broadly into two kinetic regimes. One is observed in melts or in high molar mass polymer solutions and is dominated by nucleation control with G approximately exp(1/TDeltaT), where G is the growth rate and DeltaT is the supercooling. The other is observed in low molar mass solutions (as well as for small molecules) and is diffusion controlled with G approximately DeltaT, for small DeltaT. Our model unifies these two regimes in a single formalism. The model accounts for the accumulation of polymer chains near the growth front and invokes an entropic barrier theory to recover both limits of nucleation and diffusion control. The basic theory applies to both melts and solutions, and we numerically calculate the growth details of a single crystal in a dilute solution. The effects of molecular weight and concentration are also determined considering conventional polymer dynamics. Our theory shows that entropic considerations, in addition to the traditional energetic arguments, can capture general trends of a vast range of phenomenology. Unifying ideas on crystallization from small molecules and from flexible polymer chains emerge from our theory.

  8. Flory theory for polymers.

    PubMed

    Bhattacharjee, Somendra M; Giacometti, Achille; Maritan, Amos

    2013-12-18

    We review various simple analytical theories for homopolymers within a unified framework. The common guideline of our approach is the Flory theory, and its various avatars, with the attempt at being reasonably self-contained. We expect this review to be useful as an introduction to the topic at the graduate student level.

  9. Solid electrolyte material manufacturable by polymer processing methods

    DOEpatents

    Singh, Mohit; Gur, Ilan; Eitouni, Hany Basam; Balsara, Nitash Pervez

    2012-09-18

    The present invention relates generally to electrolyte materials. According to an embodiment, the present invention provides for a solid polymer electrolyte material that is ionically conductive, mechanically robust, and can be formed into desirable shapes using conventional polymer processing methods. An exemplary polymer electrolyte material has an elastic modulus in excess of 1.times.10.sup.6 Pa at 90 degrees C. and is characterized by an ionic conductivity of at least 1.times.10.sup.-5 Scm-1 at 90 degrees C. An exemplary material can be characterized by a two domain or three domain material system. An exemplary material can include material components made of diblock polymers or triblock polymers. Many uses are contemplated for the solid polymer electrolyte materials. For example, the present invention can be applied to improve Li-based batteries by means of enabling higher energy density, better thermal and environmental stability, lower rates of self-discharge, enhanced safety, lower manufacturing costs, and novel form factors.

  10. Evaluation of advanced polymers for additive manufacturing

    SciTech Connect

    Rios, Orlando; Morrison, Crystal

    2015-09-01

    The goal of this Manufacturing Demonstration Facility (MDF) technical collaboration project between Oak Ridge National Laboratory (ORNL) and PPG Industries, Inc. was to evaluate the feasibility of using conventional coatings chemistry and technology to build up material layer-by-layer. The PPG-ORNL study successfully demonstrated that polymeric coatings formulations may overcome many limitations of common thermoplastics used in additive manufacturing (AM), allow lightweight nozzle design for material deposition and increase build rate. The materials effort focused on layer-by-layer deposition of coatings with each layer fusing together. The combination of materials and deposition results in an additively manufactured build that has sufficient mechanical properties to bear the load of additional layers, yet is capable of bonding across the z-layers to improve build direction strength. The formulation properties were tuned to enable a novel, high-throughput deposition method that is highly scalable, compatible with high loading of reinforcing fillers, and is inherently low-cost.

  11. Polymers for 3D Printing and Customized Additive Manufacturing.

    PubMed

    Ligon, Samuel Clark; Liska, Robert; Stampfl, Jürgen; Gurr, Matthias; Mülhaupt, Rolf

    2017-08-09

    Additive manufacturing (AM) alias 3D printing translates computer-aided design (CAD) virtual 3D models into physical objects. By digital slicing of CAD, 3D scan, or tomography data, AM builds objects layer by layer without the need for molds or machining. AM enables decentralized fabrication of customized objects on demand by exploiting digital information storage and retrieval via the Internet. The ongoing transition from rapid prototyping to rapid manufacturing prompts new challenges for mechanical engineers and materials scientists alike. Because polymers are by far the most utilized class of materials for AM, this Review focuses on polymer processing and the development of polymers and advanced polymer systems specifically for AM. AM techniques covered include vat photopolymerization (stereolithography), powder bed fusion (SLS), material and binder jetting (inkjet and aerosol 3D printing), sheet lamination (LOM), extrusion (FDM, 3D dispensing, 3D fiber deposition, and 3D plotting), and 3D bioprinting. The range of polymers used in AM encompasses thermoplastics, thermosets, elastomers, hydrogels, functional polymers, polymer blends, composites, and biological systems. Aspects of polymer design, additives, and processing parameters as they relate to enhancing build speed and improving accuracy, functionality, surface finish, stability, mechanical properties, and porosity are addressed. Selected applications demonstrate how polymer-based AM is being exploited in lightweight engineering, architecture, food processing, optics, energy technology, dentistry, drug delivery, and personalized medicine. Unparalleled by metals and ceramics, polymer-based AM plays a key role in the emerging AM of advanced multifunctional and multimaterial systems including living biological systems as well as life-like synthetic systems.

  12. Polymers for 3D Printing and Customized Additive Manufacturing

    PubMed Central

    2017-01-01

    Additive manufacturing (AM) alias 3D printing translates computer-aided design (CAD) virtual 3D models into physical objects. By digital slicing of CAD, 3D scan, or tomography data, AM builds objects layer by layer without the need for molds or machining. AM enables decentralized fabrication of customized objects on demand by exploiting digital information storage and retrieval via the Internet. The ongoing transition from rapid prototyping to rapid manufacturing prompts new challenges for mechanical engineers and materials scientists alike. Because polymers are by far the most utilized class of materials for AM, this Review focuses on polymer processing and the development of polymers and advanced polymer systems specifically for AM. AM techniques covered include vat photopolymerization (stereolithography), powder bed fusion (SLS), material and binder jetting (inkjet and aerosol 3D printing), sheet lamination (LOM), extrusion (FDM, 3D dispensing, 3D fiber deposition, and 3D plotting), and 3D bioprinting. The range of polymers used in AM encompasses thermoplastics, thermosets, elastomers, hydrogels, functional polymers, polymer blends, composites, and biological systems. Aspects of polymer design, additives, and processing parameters as they relate to enhancing build speed and improving accuracy, functionality, surface finish, stability, mechanical properties, and porosity are addressed. Selected applications demonstrate how polymer-based AM is being exploited in lightweight engineering, architecture, food processing, optics, energy technology, dentistry, drug delivery, and personalized medicine. Unparalleled by metals and ceramics, polymer-based AM plays a key role in the emerging AM of advanced multifunctional and multimaterial systems including living biological systems as well as life-like synthetic systems. PMID:28756658

  13. Additive Manufacturing of Ultem Polymers and Composites

    NASA Technical Reports Server (NTRS)

    Chuang, Kathy C.; Grady, Joseph E.; Draper, Robert D.; Shin, Euy-Sik E.; Patterson, Clark; Santelle, Thomas D.

    2015-01-01

    The objective of this project was to conduct additive manufacturing to produce aircraft engine components by Fused Deposition Modeling (FDM), using commercially available polyetherimdes Ultem 9085 and experimental Ultem 1000 filled with 10 chopped carbon fiber. A property comparison between FDM-printed and injection molded coupons for Ultem 9085, Ultem 1000 resin and the fiber-filled composite Ultem 1000 was carried out. Furthermore, an acoustic liner was printed from Ultem 9085 simulating conventional honeycomb structured liners and tested in a wind tunnel. Composite compressor inlet guide vanes were also printed using fiber-filled Ultem 1000 filaments and tested in a cascade rig. The fiber-filled Ultem 1000 filaments and composite vanes were characterized by scanning electron microscope (SEM) and acid digestion to determine the porosity of FDM-printed articles which ranged from 25-31. Coupons of Ultem 9085, experimental Ultem 1000 composites and XH6050 resin were tested at room temperature and 400F to evaluate their corresponding mechanical properties.

  14. Manufacturing Aspects of Advanced Polymer Composites for Automotive Applications

    NASA Astrophysics Data System (ADS)

    Friedrich, Klaus; Almajid, Abdulhakim A.

    2013-04-01

    Composite materials, in most cases fiber reinforced polymers, are nowadays used in many applications in which light weight and high specific modulus and strength are critical issues. The constituents of these materials and their special advantages relative to traditional materials are described in this paper. Further details are outlined regarding the present markets of polymer composites in Europe, and their special application in the automotive industry. In particular, the manufacturing of parts from thermoplastic as well as thermosetting, short and continuous fiber reinforced composites is emphasized.

  15. Towards roll-to-roll manufacturing of polymer photonic devices

    NASA Astrophysics Data System (ADS)

    Subbaraman, Harish; Lin, Xiaohui; Ling, Tao; Guo, L. Jay; Chen, Ray T.

    2014-03-01

    Traditionally, polymer photonic devices are fabricated using clean-room processes such as photolithography, e-beam lithography, reactive ion etching (RIE) and lift-off methods etc, which leads to long fabrication time, low throughput and high cost. We have utilized a novel process for fabricating polymer photonic devices using a combination of imprinting and ink jet printing methods, which provides high throughput on a variety of rigid and flexible substrates with low cost. We discuss the manufacturing challenges that need to be overcome in order to realize true implementation of roll-to-roll manufacturing of flexible polymer photonic systems. Several metrology and instrumentation challenges involved such as availability of particulate-free high quality substrate, development and implementation of high-speed in-line and off-line inspection and diagnostic tools with adaptive control for patterned and unpatterned material films, development of reliable hardware, etc need to be addressed and overcome in order to realize a successful manufacturing process. Due to extreme resolution requirements compared to print media, the burden of software and hardware tools on the throughput also needs to be carefully determined. Moreover, the effect of web wander and variations in web speed need to accurately be determined in the design of the system hardware and software. In this paper, we show the realization of solutions for few challenges, and utilizing these solutions for developing a high-rate R2R dual stage ink-jet printer that can provide alignment accuracy of <10μm at a web speed of 5m/min. The development of a roll-to-roll manufacturing system for polymer photonic systems opens limitless possibilities for the deployment of high performance components in a variety of applications including communication, sensing, medicine, agriculture, energy, lighting etc.

  16. Electrooptic polymer voltage sensor and method of manufacture thereof

    NASA Technical Reports Server (NTRS)

    Gottsche, Allan (Inventor); Perry, Joseph W. (Inventor)

    1993-01-01

    An optical voltage sensor utilizing an electrooptic polymer is disclosed for application to electric power distribution systems. The sensor, which can be manufactured at low cost in accordance with a disclosed method, measures voltages across a greater range than prior art sensors. The electrooptic polymer, which replaces the optical crystal used in prior art sensors, is sandwiched directly between two high voltage electrodes. Voltage is measured by fiber optical means, and no voltage division is required. The sample of electrooptic polymer is fabricated in a special mold and later mounted in a sensor housing. Alternatively, mold and sensor housing may be identical. The sensor housing is made out of a machinable polymeric material and is equipped with two opposing optical windows. The optical windows are mounted in the bottom of machined holes in the wall of the mold. These holes provide for mounting of the polarizing optical components and for mounting of the fiber optic connectors. One connecting fiber is equipped with a light emitting diode as a light source. Another connecting fiber is equipped with a photodiode as a detector.

  17. Manufacturing of polymer light-emitting device structures

    NASA Astrophysics Data System (ADS)

    Tuomikoski, M.; Suhonen, R.; Välimäki, M.; Maaninen, T.; Maaninen, A.; Sauer, M.; Rogin, P.; Mennig, M.; Heusing, S.; Puetz, J.; Aegerter, M. A.

    2006-04-01

    The gravure printing technique is currently under investigation as a possible method for the roll-to-roll production of OLEDs in the 6th framework EU funded project entitled ROLLED - "Roll-to-roll manufacturing technology for flexible OLED devices and arbitrary size and shape displays". The objective in the project is to fabricate an entire OLED structure by using roll-to-roll manufacturing methods and to examine, how the commercial production could be set up and integrated into an existing printing process. In order to attain a roll-to-roll compatibility, all the materials, inks and device structures need to be suitable for printing. Since, such OLED device structures are very sensitive to moisture and oxygen, high barrier materials to be applied as wet chemical coatings on transparent polymer films such as PET by common roll-to-roll coating techniques have been investigated. The barrier films on their respective substrates act as front and back side encapsulation materials, where the front side encapsulation material is to be used as a transparent and flexible substrate for OLED fabrication. The transmission rates to be achieved for both front and back side encapsulation for oxygen and water vapour are 5 mg m -2day -1 (corresponding to 7 cm 3m -2day -1 for O II). In this paper, we show how light-emitting devices manufactured by gravure printing operate compared to the ones manufactured by traditional methods. Furthermore, we present recent results on the development of ITO nanoparticle coatings, cathode inks and flexible barrier materials.

  18. Low-Cost Manufacturing of High- Temperature Polymer Composites

    NASA Technical Reports Server (NTRS)

    Sutter, James K.

    1998-01-01

    Major goals of NASA and the Integrated High Performance Turbine Engine Technology (IHPTET) initiative include improvements in the affordability of propulsion systems, significant increases in the thrust/weight ratio, and increases in the temperature capability of components of gas turbine engines. Members of NASA Lewis Research Center's HITEMP project worked cooperatively with Allison Advanced Development Corporation to develop a manufacturing method to produce low-cost components for gas turbine engines. Affordability for these polymer composites is defined by the savings in acquisition and life-cycle costs associated with engine weight reduction. To lower engine component costs, the Lewis/Allison team focused on chopped graphite fiber/polyimide resin composites. The high-temperature polyimide resin chosen, PMR-II-50, was developed at NASA Lewis.

  19. Raman diagnostics in manufacturing of polymer planar optical waveguides

    NASA Astrophysics Data System (ADS)

    Gnyba, Marcin; Keranen, Mikko

    2003-04-01

    A Raman spectroscopy was used to diagnose a synthesis process of new class of materials - hybrid polymer thin films, dedicated to planar optical waveguides. Hybrids, made in sol-gel technology, have a great application potential, because their properties may be formed in wide range. However, to obtain high quality product, a strict control of the manufacturing process must be ensured. In our experiment, correctness of particular steps of the process as well as molecular structure of monomers, gel and thin films was investigated. The results of Raman mesurements showed that efficiency of two basic reactions should be improved. However, the structure of final product seems to be appropriate. To investigate full potential of Raman spectroscopy in process control, an experimental in-situ measurement was made in the real time, which allowed us to estimate the time required for the reaction.

  20. Physical theory of excitons in conducting polymers.

    PubMed

    Brazovskii, Serguei; Kirova, Natasha

    2010-07-01

    In this tutorial review, we cover the solid state physics approach to electronic and optical properties of conducting polymers. We attempt to bring together languages and advantages of the solid state theory for polymers and of the quantum chemistry for monomers. We consider polymers as generic one-dimensional semiconductors with features of strongly correlated electronic systems. Our model combines the long range electron-hole Coulomb attraction with a specific effect of strong intra-monomer electronic correlations, which results in effective intra-monomer electron-hole repulsion. Our approach allows to go beyond the single-chain picture and to compare excitons for polymers in solutions and in films. The approach helps connecting such different questions as shallow singlet and deep triplet excitons, stronger binding of interchain excitons in films, crossings of excitons' branches, 1/N energies shifts in oligomers. We describe a strong suppression of the luminescence from free charge carriers by long-range Coulomb interactions. Main attention is devoted to the most requested in applications phenyl based polymers. The specifics of the benzene ring monomer give rise to existence of three possible types of excitons: Wannier-Mott, Frenkel and intermediate ones. We discuss experimental manifestations of various excitons and of their transformations. We touch effects of the time-resolved self-trapping by libron modes leading to formation of torsion polarons.

  1. Comprehensive theory for star-like polymer micelles; combining classical nucleation and polymer brush theory.

    PubMed

    Sprakel, Joris; Leermakers, Frans A M; Cohen Stuart, Martien A; Besseling, Nicolaas A M

    2008-09-14

    A comprehensive theory is proposed that combines classical nucleation and polymer brush theory to describe star-like polymer micelles. With a minimum of adjustable parameters, the model predicts properties such as critical micelle concentrations and micellar size distributions. The validity of the present theory is evidenced in direct comparison to experiments; this revealed that the proportionality constant in the Daoud-Cotton model is of the order of unity and that the star-limit is valid down to relatively short corona chains. Furthermore, we show that the predicted saddle points in the free energy correspond to those solutions that are accessible with self-consistent field methods for self-assembly.

  2. Theory and Simulations of Tapered Diblock Polymers

    NASA Astrophysics Data System (ADS)

    Hall, Lisa M.; Seo, Youngmi; Brown, Jonathan R.

    We study tapered block polymers, AB diblock polymers with a gradient region inserted between the pure A and B blocks such that composition smoothly transitions from A to B (or B to A in the case of inverse tapers). Phase diagrams were created using self consistent field theory (SCFT), and coarse-grained molecular dynamics (MD) simulations were used to study polymer conformations and diffusion, including diffusion of monomer-sized penetrants preferentially dissolved in one of the phases. As has been observed experimentally, we find that tapering makes the A and B blocks more miscible, decreasing domain spacing and shifting the order to disorder transition to lower temperatures. We predict a widening of the bicontinuous double gyroid region of the phase diagram for moderate length normal tapers versus diblocks, suggesting taper length can be used as a control parameter to obtain network phases even at high molecular weight, as may be desirable in transport applications. Additionally, in some inverse tapered systems, SCFT predicts phases not present in the standard AB diblock phase diagram, and MD simulations show how the chains fold back and forth across the interface. In these inverse tapered polymers, as segregation strength is increased, the competing effects of folding and stretching produces lamellae that have domain spacing nearly independent of temperature. We also find that diffusion of penetrants in normal tapers is significantly faster than that in inverse tapers, which is likely related to their unusual conformations. This material is based upon work supported by DOE Grant SC0014209.

  3. Consolidation & Factors Influencing Sintering Process in Polymer Powder Based Additive Manufacturing

    NASA Astrophysics Data System (ADS)

    Sagar, M. B.; Elangovan, K.

    2017-08-01

    Additive Manufacturing (AM) is two decade old technology; where parts are build layer manufacturing method directly from a CAD template. Over the years, AM techniques changes the future way of part fabrication with enhanced intricacy and custom-made features are aimed. Commercially polymers, metals, ceramic and metal-polymer composites are in practice where polymers enhanced the expectations in AM and are considered as a kind of next industrial revolution. Growing trend in polymer application motivated to study their feasibility and properties. Laser sintering, Heat sintering and Inhibition sintering are the most successful AM techniques for polymers but having least application. The presentation gives up selective sintering of powder polymers and listed commercially available polymer materials. Important significant factors for effective processing and analytical approaches to access them are discussed.

  4. A microscopic approach to the theory of polymer ablation

    NASA Astrophysics Data System (ADS)

    Singh, Jai; Itoh, N.

    1990-12-01

    A microscopic theory of polymer ablation is presented here. Our results suggest that the surface bonds of polymers are broken due to localisation of a pair of excitations on the same bond in a chain. A laser fluence that can create paired excitations on the same bond defines the threshold laser fluence which is observed experimentally. Other results of the present theory agree very well with experiments and the existing phenomenological theory of polymer ablation.

  5. Sustainable design and manufacturing of multifunctional polymer nanocomposite coatings: A multiscale systems approach

    NASA Astrophysics Data System (ADS)

    Xiao, Jie

    Polymer nanocomposites have a great potential to be a dominant coating material in a wide range of applications in the automotive, aerospace, ship-making, construction, and pharmaceutical industries. However, how to realize design sustainability of this type of nanostructured materials and how to ensure the true optimality of the product quality and process performance in coating manufacturing remain as a mountaintop area. The major challenges arise from the intrinsic multiscale nature of the material-process-product system and the need to manipulate the high levels of complexity and uncertainty in design and manufacturing processes. This research centers on the development of a comprehensive multiscale computational methodology and a computer-aided tool set that can facilitate multifunctional nanocoating design and application from novel function envisioning and idea refinement, to knowledge discovery and design solution derivation, and further to performance testing in industrial applications and life cycle analysis. The principal idea is to achieve exceptional system performance through concurrent characterization and optimization of materials, product and associated manufacturing processes covering a wide range of length and time scales. Multiscale modeling and simulation techniques ranging from microscopic molecular modeling to classical continuum modeling are seamlessly coupled. The tight integration of different methods and theories at individual scales allows the prediction of macroscopic coating performance from the fundamental molecular behavior. Goal-oriented design is also pursued by integrating additional methods for bio-inspired dynamic optimization and computational task management that can be implemented in a hierarchical computing architecture. Furthermore, multiscale systems methodologies are developed to achieve the best possible material application towards sustainable manufacturing. Automotive coating manufacturing, that involves paint spay and

  6. Low-cost Electromagnetic Heating Technology for Polymer Extrusion-based Additive Manufacturing

    SciTech Connect

    Carter, William G.; Rios, Orlando; Akers, Ronald R.; Morrison, William A.

    2016-01-07

    To improve the flow of materials used in in polymer additive manufacturing, ORNL and Ajax Tocco created an induction system for heating fused deposition modeling (FDM) nozzles used in polymer additive manufacturing. The system is capable of reaching a temperature of 230 C, a typical nozzle temperature for extruding ABS polymers, in 17 seconds. A prototype system was built at ORNL and sent to Ajax Tocco who analyzed the system and created a finalized power supply. The induction system was mounted to a PrintSpace Altair desktop printer and used to create several test parts similar in quality to those created using a resistive heated nozzle.

  7. Manufacturing polymer thin films in a micro-gravity environment

    NASA Technical Reports Server (NTRS)

    Vera, Ivan

    1987-01-01

    This project represents Venezuela's first scientific experiment in space. The apparatus for the automatic casting of two polymer thin films will be contained in NASA's Payload No. G-559 of the Get Away Special program for a future orbital space flight in the U.S. Space Shuttle. Semi-permeable polymer membranes have important applications in a variety of fields, such as medicine, energy, and pharmaceuticals and in general fluid separation processes, such as reverse osmosis, ultrafiltration, and electrodialysis. The casting of semi-permeable membranes in space will help to identify the roles of convection in determining the structure of these membranes.

  8. Production of micron-sized polymer particles for additive manufacturing by melt emulsification

    SciTech Connect

    Fanselow, Stephanie; Schmidt, Jochen; Wirth, Karl-Ernst; Peukert, Wolfgang

    2016-03-09

    Melt emulsification is an advanced top-down approach that permits to produce spherical particles and thus widens the availability of polymer feed materials for additive manufacturing. In the process the polymer is molten in a continuous phase and droplet breakup is realized in a rotor-stator-device. The stabilization of the newly formed surfaces is quite challenging. Therefore, a new method to identify an appropriate emulsifier by measuring the interfacial tension between the polymer and continuous phase using a high pressure / high temperature cell is presented. The obtained powders are characterized by scanning electron microscopy (SEM) and by a Zimmermann tensile strength tester to determine the powder flowability. The processability of the polymer powders for additive manufacturing is investigated and demonstrated by building single layers by laser beam melting.

  9. Solid Rocket Fuel Constitutive Theory and Polymer Cure

    NASA Technical Reports Server (NTRS)

    Ream, Robert

    2006-01-01

    Solid Rocket Fuel is a complex composite material for which no general constitutive theory, based on first principles, has been developed. One of the principles such a relation would depend on is the morphology of the binder. A theory of polymer curing is required to determine this morphology. During work on such a theory an algorithm was developed for counting the number of ways a polymer chain could assemble. The methods used to develop and check this algorithm led to an analytic solution to the problem. This solution is used in a probability distribution function which characterizes the morphology of the polymer.

  10. Hamiltonian constraint in polymer parametrized field theory

    SciTech Connect

    Laddha, Alok; Varadarajan, Madhavan

    2011-01-15

    Recently, a generally covariant reformulation of two-dimensional flat spacetime free scalar field theory known as parametrized field theory was quantized using loop quantum gravity (LQG) type ''polymer'' representations. Physical states were constructed, without intermediate regularization structures, by averaging over the group of gauge transformations generated by the constraints, the constraint algebra being a Lie algebra. We consider classically equivalent combinations of these constraints corresponding to a diffeomorphism and a Hamiltonian constraint, which, as in gravity, define a Dirac algebra. Our treatment of the quantum constraints parallels that of LQG and obtains the following results, expected to be of use in the construction of the quantum dynamics of LQG: (i) the (triangulated) Hamiltonian constraint acts only on vertices, its construction involves some of the same ambiguities as in LQG and its action on diffeomorphism invariant states admits a continuum limit, (ii) if the regulating holonomies are in representations tailored to the edge labels of the state, all previously obtained physical states lie in the kernel of the Hamiltonian constraint, (iii) the commutator of two (density weight 1) Hamiltonian constraints as well as the operator correspondent of their classical Poisson bracket converge to zero in the continuum limit defined by diffeomorphism invariant states, and vanish on the Lewandowski-Marolf habitat, (iv) the rescaled density 2 Hamiltonian constraints and their commutator are ill-defined on the Lewandowski-Marolf habitat despite the well-definedness of the operator correspondent of their classical Poisson bracket there, (v) there is a new habitat which supports a nontrivial representation of the Poisson-Lie algebra of density 2 constraints.

  11. Highly oriented carbon fiber–polymer composites via additive manufacturing

    SciTech Connect

    Tekinalp, Halil L.; Kunc, Vlastimil; Velez-Garcia, Gregorio M.; Duty, Chad E.; Love, Lonnie J.; Naskar, Amit K.; Blue, Craig A.; Ozcan, Soydan

    2014-10-16

    Additive manufacturing, diverging from traditional manufacturing techniques, such as casting and machining materials, can handle complex shapes with great design flexibility without the typical waste. Although this technique has been mainly used for rapid prototyping, interest is growing in using this method to directly manufacture actual parts of complex shape. To use 3D-printing additive manufacturing in wide spread applications, the technique and the feedstock materials require improvements to meet the mechanical requirements of load-bearing components. Thus, we investigated the short fiber (0.2 mm to 0.4 mm) reinforced acrylonitrile-butadiene-styrene composites as a feedstock for 3D-printing in terms of their processibility, microstructure and mechanical performance; and also provided comparison with traditional compression molded composites. The tensile strength and modulus of 3D-printed samples increased ~115% and ~700%, respectively. 3D-printer yielded samples with very high fiber orientation in printing direction (up to 91.5 %), whereas, compression molding process yielded samples with significantly less fiber orientation. Microstructure-mechanical property relationships revealed that although the relatively high porosity is observed in the 3D-printed composites as compared to those produced by the conventional compression molding technique, they both exhibited comparable tensile strength and modulus. Furthermore, this phenomena is explained based on the changes in fiber orientation, dispersion and void formation.

  12. Highly oriented carbon fiber–polymer composites via additive manufacturing

    DOE PAGES

    Tekinalp, Halil L.; Kunc, Vlastimil; Velez-Garcia, Gregorio M.; ...

    2014-10-16

    Additive manufacturing, diverging from traditional manufacturing techniques, such as casting and machining materials, can handle complex shapes with great design flexibility without the typical waste. Although this technique has been mainly used for rapid prototyping, interest is growing in using this method to directly manufacture actual parts of complex shape. To use 3D-printing additive manufacturing in wide spread applications, the technique and the feedstock materials require improvements to meet the mechanical requirements of load-bearing components. Thus, we investigated the short fiber (0.2 mm to 0.4 mm) reinforced acrylonitrile-butadiene-styrene composites as a feedstock for 3D-printing in terms of their processibility, microstructuremore » and mechanical performance; and also provided comparison with traditional compression molded composites. The tensile strength and modulus of 3D-printed samples increased ~115% and ~700%, respectively. 3D-printer yielded samples with very high fiber orientation in printing direction (up to 91.5 %), whereas, compression molding process yielded samples with significantly less fiber orientation. Microstructure-mechanical property relationships revealed that although the relatively high porosity is observed in the 3D-printed composites as compared to those produced by the conventional compression molding technique, they both exhibited comparable tensile strength and modulus. Furthermore, this phenomena is explained based on the changes in fiber orientation, dispersion and void formation.« less

  13. Manufacturing Energy Intensity and Opportunity Analysis for Fiber-Reinforced Polymer Composites and Other Lightweight Materials

    SciTech Connect

    Liddell, Heather; Brueske, Sabine; Carpenter, Alberta; Cresko, Joseph

    2016-09-22

    With their high strength-to-weight ratios, fiber-reinforced polymer (FRP) composites are important materials for lightweighting in structural applications; however, manufacturing challenges such as low process throughput and poor quality control can lead to high costs and variable performance, limiting their use in commercial applications. One of the most significant challenges for advanced composite materials is their high manufacturing energy intensity. This study explored the energy intensities of two lightweight FRP composite materials (glass- and carbon-fiber-reinforced polymers), with three lightweight metals (aluminum, magnesium, and titanium) and structural steel (as a reference material) included for comparison. Energy consumption for current typical and state-of-the-art manufacturing processes were estimated for each material, deconstructing manufacturing process energy use by sub-process and manufacturing pathway in order to better understand the most energy intensive steps. Energy saving opportunities were identified and quantified for each production step based on a review of applied R&D technologies currently under development in order to estimate the practical minimum energy intensity. Results demonstrate that while carbon fiber reinforced polymer (CFRP) composites have the highest current manufacturing energy intensity of all materials considered, the large differences between current typical and state-of-the-art energy intensity levels (the 'current opportunity') and between state-of-the-art and practical minimum energy intensity levels (the 'R&D opportunity') suggest that large-scale energy savings are within reach.

  14. Polymeric compositions and their method of manufacture. [forming filled polymer systems using cryogenics

    NASA Technical Reports Server (NTRS)

    Moser, B. G.; Landel, R. F. (Inventor)

    1972-01-01

    Filled polymer compositions are made by dissolving the polymer binder in a suitable sublimable solvent, mixing the filler material with the polymer and its solvent, freezing the resultant mixture, and subliming the frozen solvent from the mixture from which it is then removed. The remaining composition is suitable for conventional processing such as compression molding or extruding. A particular feature of the method of manufacture is pouring the mixed solution slowly in a continuous stream into a cryogenic bath wherein frozen particles of the mixture result. The frozen individual particles are then subjected to the sublimation.

  15. Fluid Structure Interaction Analysis in Manufacturing Metal/Polymer Macro-Composites

    SciTech Connect

    Baesso, R.; Lucchetta, G.

    2007-05-17

    Polymer Injection Forming (PIF) is a new manufacturing technology for sheet metal-polymer macro-composites, which results from the combination of injection moulding and sheet metal forming. This process consists on forming the sheet metal according to the boundary of the mould cavity by means of the injected polymer. After cooling, the polymer bonds permanently to the metal resulting in a sheet metal-polymer macro-composite product. Comparing this process to traditional ones (where the polymeric and metal parts are joined together after separate forming) the main advantages are both reduction of production costs and increase of part quality. This paper presents a multi-physics numerical simulation of the process performed in the Ansys/CFX environment.

  16. [Conformation theory of polymers and biopolymers].

    PubMed

    Volkenstein, M V

    1977-01-01

    A short review is given of the Soviet investigations in the field of physics of polymers and biopolymers based on the concept of conformational motility of macromolecules. It is shown that the ideas originally used for the treatment of the properties of the synthetic polymers and, in particular, of the rubber elasticity, have found broad applications in molecular biophysics.

  17. Modified PRISM theory for confined polymers.

    PubMed

    Xu, Mengjin; Zhang, Chen; Du, Zhongjie; Mi, Jianguo

    2012-11-14

    We propose a modified polymer reference interaction site model (PRISM) to describe the interfacial density profiles of polymers in contact with planar and curved solid surfaces. In the theoretical approach, a bridge function derived from density functional method is included. In description of hard-sphere polymer at planar and curved surfaces with an arbitrary external field, the effect of modification has been validated by the available simulation data, except for low density system. When extended to confined real systems, the modified theoretical model also shows an encouraging prospect in description of the interfacial structure and properties.

  18. Model based control of polymer composite manufacturing processes

    NASA Astrophysics Data System (ADS)

    Potaraju, Sairam

    2000-10-01

    The objective of this research is to develop tools that help process engineers design, analyze and control polymeric composite manufacturing processes to achieve higher productivity and cost reduction. Current techniques for process design and control of composite manufacturing suffer from the paucity of good process models that can accurately represent these non-linear systems. Existing models developed by researchers in the past are designed to be process and operation specific, hence generating new simulation models is time consuming and requires significant effort. To address this issue, an Object Oriented Design (OOD) approach is used to develop a component-based model building framework. Process models for two commonly used industrial processes (Injected Pultrusion and Autoclave Curing) are developed using this framework to demonstrate the flexibility. Steady state and dynamic validation of this simulator is performed using a bench scale injected pultrusion process. This simulator could not be implemented online for control due to computational constraints. Models that are fast enough for online implementation, with nearly the same degree of accuracy are developed using a two-tier scheme. First, lower dimensional models that captures essential resin flow, heat transfer and cure kinetics important from a process monitoring and control standpoint are formulated. The second step is to reduce these low dimensional models to Reduced Order Models (ROM) suited for online model based estimation, control and optimization. Model reduction is carried out using Proper Orthogonal Decomposition (POD) technique in conjunction with a Galerkin formulation procedure. Subsequently, a nonlinear model-based estimation and inferential control scheme based on the ROM is implemented. In particular, this research work contributes in the following general areas: (1) Design and implementation of versatile frameworks for modeling and simulation of manufacturing processes using object

  19. Terahertz imaging and tomography as efficient instruments for testing polymer additive manufacturing objects.

    PubMed

    Perraud, J B; Obaton, A F; Bou-Sleiman, J; Recur, B; Balacey, H; Darracq, F; Guillet, J P; Mounaix, P

    2016-05-01

    Additive manufacturing (AM) technology is not only used to make 3D objects but also for rapid prototyping. In industry and laboratories, quality controls for these objects are necessary though difficult to implement compared to classical methods of fabrication because the layer-by-layer printing allows for very complex object manufacturing that is unachievable with standard tools. Furthermore, AM can induce unknown or unexpected defects. Consequently, we demonstrate terahertz (THz) imaging as an innovative method for 2D inspection of polymer materials. Moreover, THz tomography may be considered as an alternative to x-ray tomography and cheaper 3D imaging for routine control. This paper proposes an experimental study of 3D polymer objects obtained by additive manufacturing techniques. This approach allows us to characterize defects and to control dimensions by volumetric measurements on 3D data reconstructed by tomography.

  20. Manufacturing of embedded multimode waveguides by reactive lamination of cyclic olefin polymer and polymethylmethacrylate

    NASA Astrophysics Data System (ADS)

    Kelb, Christian; Rother, Raimund; Schuler, Anne-Katrin; Hinkelmann, Moritz; Rahlves, Maik; Prucker, Oswald; Müller, Claas; Rühe, Jürgen; Reithmeier, Eduard; Roth, Bernhard

    2016-03-01

    We demonstrate the manufacturing of embedded multimode optical waveguides through linking of polymethylmethacrylate (PMMA) foils and cyclic olefin polymer (COP) filaments based on a lamination process. Since the two polymeric materials cannot be fused together through interdiffusion of polymer chains, we utilize a reactive lamination agent based on PMMA copolymers containing photoreactive 2-acryloyloxyanthraquinone units, which allows the creation of monolithic PMMA-COP substrates through C-H insertion reactions across the interface between the two materials. We elucidate the lamination process and evaluate the chemical link between filament and foils by carrying out extraction tests with a custom-built tensile testing machine. We also show attenuation measurements of the manufactured waveguides for different manufacturing parameters. The lamination process is in particular suited for large-scale and low-cost fabrication of board-level devices with optical waveguides or other micro-optical structures, e.g., optofluidic devices.

  1. Mass-manufacturable polymer microfluidic device for dual fiber optical trapping.

    PubMed

    De Coster, Diane; Ottevaere, Heidi; Vervaeke, Michael; Van Erps, Jürgen; Callewaert, Manly; Wuytens, Pieter; Simpson, Stephen H; Hanna, Simon; De Malsche, Wim; Thienpont, Hugo

    2015-11-30

    We present a microfluidic chip in Polymethyl methacrylate (PMMA) for optical trapping of particles in an 80µm wide microchannel using two counterpropagating single-mode beams. The trapping fibers are separated from the sample fluid by 70µm thick polymer walls. We calculate the optical forces that act on particles flowing in the microchannel using wave optics in combination with non-sequential ray-tracing and further mathematical processing. Our results are compared with a theoretical model and the Mie theory. We use a novel fabrication process that consists of a premilling step and ultraprecision diamond tooling for the manufacturing of the molds and double-sided hot embossing for replication, resulting in a robust microfluidic chip for optical trapping. In a proof-of-concept demonstration, we show the trapping capabilities of the hot embossed chip by trapping spherical beads with a diameter of 6µm, 8µm and 10µm and use the power spectrum analysis of the trapped particle displacements to characterize the trap strength.

  2. Microscopic theory of polymer-mediated interactions between spherical particles

    SciTech Connect

    Chatterjee, A.P.; Schweizer, K.S.

    1998-12-01

    We develop an analytic integral equation theory for treating polymer-induced effects on the structure and thermodynamics of dilute suspensions of hard spheres. Results are presented for the potential of mean force, free energy of insertion per particle into a polymer solution, and the second virial coefficient between spheres. The theory makes predictions for all size ratios between the spheres and the polymer coil dimension. Based on the Percus{endash}Yevick (PY) closure, the attractive polymer-induced depletion interaction is predicted to be too weak under athermal conditions to induce a negative value for the second virial coefficient, B{sub 2}{sup cc}, between spheres in the colloidal limit when the spheres are much larger than the coil size. A nonmonotonic dependence of the second virial coefficient on polymer concentration occurs for small enough particles, with the largest polymer-mediated attractions and most negative B{sub 2}{sup cc} occurring near the dilute{endash}semidilute crossover concentration. Predictions for the polymer-mediated force between spheres are compared to the results of computer simulations and scaling theory. {copyright} {ital 1998 American Institute of Physics.}

  3. Photo-induced deformation of azobenzene polymers: theory and simulations

    NASA Astrophysics Data System (ADS)

    Saphiannikova, Marina; Toshchevikov, Vladimir; Ilnytskyi, Jaroslav; Heinrich, Gert

    2011-11-01

    A microscopic theory is developed to describe light-induced deformation of azobenzene polymers of different chemical structures: uncross-linked low-molecular-weight azobenzene polymers and cross-linked azobenzene polymers (azobenzene elastomers) bearing azobenzene chromophores in their strands. According to the microscopic theory the light-induced deformation is caused by reorientation of azobenzene chromophores with respect to the electric vector of the linearly polarized light, E. Theoretical calculations of the order parameter of short azobenzene molecules (oligomers) affected by the light show that the sign of the light-induced deformation (expansion / contraction along the vector E) depends strongly on the chemical structure of the oligomers. The conclusion of the theory about different signs of the light-induced deformation of low-molecular-weight azobenzene polymers is in an agreement with performed series of molecular dynamics simulations. Using the microscopic theory it is shown that cross-linked azobenzene polymers demonstrate the same light-induced deformation (expansion / contraction) as their low-molecular-weight analogues, i.e. polymers consisting of short azobenzene molecules whose chemical structure is the same as chain fragments of the elastomers.

  4. Lattice cluster theory for dense, thin polymer films.

    PubMed

    Freed, Karl F

    2015-04-07

    While the application of the lattice cluster theory (LCT) to study the miscibility of polymer blends has greatly expanded our understanding of the monomer scale molecular details influencing miscibility, the corresponding theory for inhomogeneous systems has not yet emerged because of considerable technical difficulties and much greater complexity. Here, we present a general formulation enabling the extension of the LCT to describe the thermodynamic properties of dense, thin polymer films using a high dimension, high temperature expansion. Whereas the leading order of the LCT for bulk polymer systems is essentially simple Flory-Huggins theory, the highly non-trivial leading order inhomogeneous LCT (ILCT) for a film with L layers already involves the numerical solution of 3(L - 1) coupled, highly nonlinear equations for the various density profiles in the film. The new theory incorporates the essential "transport" constraints of Helfand and focuses on the strict imposition of excluded volume constraints, appropriate to dense polymer systems, rather than the maintenance of chain connectivity as appropriate for lower densities and as implemented in self-consistent theories of polymer adsorption at interfaces. The ILCT is illustrated by presenting examples of the computed profiles of the density, the parallel and perpendicular bonds, and the chain ends for free standing and supported films as a function of average film density, chain length, temperature, interaction with support, and chain stiffness. The results generally agree with expected general trends.

  5. Lattice cluster theory for dense, thin polymer films

    SciTech Connect

    Freed, Karl F.

    2015-04-07

    While the application of the lattice cluster theory (LCT) to study the miscibility of polymer blends has greatly expanded our understanding of the monomer scale molecular details influencing miscibility, the corresponding theory for inhomogeneous systems has not yet emerged because of considerable technical difficulties and much greater complexity. Here, we present a general formulation enabling the extension of the LCT to describe the thermodynamic properties of dense, thin polymer films using a high dimension, high temperature expansion. Whereas the leading order of the LCT for bulk polymer systems is essentially simple Flory-Huggins theory, the highly non-trivial leading order inhomogeneous LCT (ILCT) for a film with L layers already involves the numerical solution of 3(L − 1) coupled, highly nonlinear equations for the various density profiles in the film. The new theory incorporates the essential “transport” constraints of Helfand and focuses on the strict imposition of excluded volume constraints, appropriate to dense polymer systems, rather than the maintenance of chain connectivity as appropriate for lower densities and as implemented in self-consistent theories of polymer adsorption at interfaces. The ILCT is illustrated by presenting examples of the computed profiles of the density, the parallel and perpendicular bonds, and the chain ends for free standing and supported films as a function of average film density, chain length, temperature, interaction with support, and chain stiffness. The results generally agree with expected general trends.

  6. Additive Manufacturing and Characterization of Ultem Polymers and Composites

    NASA Technical Reports Server (NTRS)

    Chuang, Kathy C.; Grady, Joseph E.; Draper, Robert D.; Shin, Euy-Sik E.; Patterson, Clark; Santelle, Thomas D.

    2015-01-01

    The objective of this project was to conduct additive manufacturing to produce aircraft engine components by Fused Deposition Modeling (FDM), using commercially available polyetherimides - Ultem 9085 and experimental Ultem 1000 mixed with 10 percent chopped carbon fiber. A property comparison between FDM-printed and injection-molded coupons for Ultem 9085, Ultem 1000 resin and the fiber-filled composite Ultem 1000 was carried out. Furthermore, an acoustic liner was printed from Ultem 9085 simulating conventional honeycomb structured liners and tested in a wind tunnel. Composite compressor inlet guide vanes were also printed using fiber-filled Ultem 1000 filaments and tested in a cascade rig. The fiber-filled Ultem 1000 filaments and composite vanes were characterized by scanning electron microscope (SEM) and acid digestion to determine the porosity of FDM-printed articles which ranged from 25-31 percent. Coupons of Ultem 9085 and experimental Ultem 1000 composites were tested at room temperature and 400 degrees Fahrenheit to evaluate their corresponding mechanical properties.

  7. Molecular Theory Studies of Polymer/Nanoparticle Blends Near Surfaces

    NASA Astrophysics Data System (ADS)

    McGarrity, Erin; Frischknecht, Amalie; Mackay, Michael

    2007-03-01

    Recent experimental results have shown that nanoparticles added to supported thin polymer films can inhibit dewetting by migrating to the substrate. To better understand this phenomenon, we use a classical density functional theory developed by Tripathi and Chapman. The effects of nanoparticle radius and density are examined. Preliminary results for hard-particle hard-chain systems indicate that regular layered structures emerge when a critical density is reached and the particles displace the polymers near the substrate. The effects of particle and polymer attractions and substrate potentials are currently being studied. We also compare our results to molecular simulations.

  8. Low-Cost Nanocellulose-Reinforced High-Temperature Polymer Composites for Additive Manufacturing

    SciTech Connect

    Ozcan, Soydan; Tekinalp, Halil L.; Love, Lonnie J.; Kunc, Vlastimil; Nelson, Kim

    2016-07-13

    ORNL worked with American Process Inc. to demonstrate the potential use of bio-based BioPlus® lignin-coated cellulose nanofibrils (L-CNF) as a reinforcing agent in the development of polymer feedstock suitable for additive manufacturing. L-CNF-reinforced polylactic acid (PLA) testing coupons were prepared and up to 69% increase in tensile strength and 133% increase in elastic modulus were demonstrated.

  9. Manufacturing polymer/carbon nanotube composite using a novel direct process.

    PubMed

    Tran, C-D; Lucas, S; Phillips, D G; Randeniya, L K; Baughman, R H; Tran-Cong, T

    2011-04-08

    A direct process for manufacturing polymer carbon nanotube (CNT)-based composite yarns is reported. The new approach is based on a modified dry spinning method of CNT yarn and gives a high alignment of the CNT bundle structure in yarns. The aligned CNT structure was combined with a polymer resin and, after being stressed through the spinning process, the resin was cured and polymerized, with the CNT structure acting as reinforcement in the composite. Thus the present method obviates the need for special and complex treatments to align and disperse CNTs in a polymer matrix. The new process allows us to produce a polymer/CNT composite with properties that may satisfy various engineering specifications. The structure of the yarn was investigated using scanning electron microscopy coupled with a focused-ion-beam system. The tensile behavior was characterized using a dynamic mechanical analyzer. Fourier transform infrared spectrometry was also used to chemically analyze the presence of polymer on the composites. The process allows development of polymer/CNT-based composites with different mechanical properties suitable for a range of applications by using various resins.

  10. [Safety and structural analysis of polymers produced in manufacturing process of alpha-lipoic acid].

    PubMed

    Shimoda, Hiroshi; Tanaka, Junji; Seki, Azusa; Honda, Haruya; Akaogi, Seiichiro; Komatsubara, Hirobumi; Suzuki, Nobuo; Kameyama, Mayumi; Tamura, Satoru; Murakami, Nobutoshi

    2007-10-01

    Alpha-Lipoic acid has recently been permitted for use in foodstuffs and is contained in tablets and capsules. Although alpha-lipoic acid is synthesized from adipic acid, the safety of polymers produced during the purification and drying processes has been an issue of concern. Hence, we examined the safety profiles of thermally denatured polymer (LAP-A) and ethanol-denatured polymer (LAP-B) produced in the manufacturing process of alpha-lipoic acid. Furthermore, we conducted structural analysis of these polymers by 1H-NMR and FAB-MS spectroscopy. In a consecutive ingestion test, male and female mice ingested diet containing 0.1 and 0.2% LAP-A and -B for 4 weeks. Blood uric acid, potassium and lactate dehydrogenase (LDH) tended to increase without dose-dependency. Relative liver weights were also increased. However, male dogs that were orally administered LAP-B (500 mg/kg) once did not show any abnormalities in blood parameters or general condition. These findings indicate that alpha-lipoic acid polymers are not acutely toxic; however, chronic ingestion of these polymers may affect liver and kidney functions.

  11. Manufacturing polymer/carbon nanotube composite using a novel direct process

    NASA Astrophysics Data System (ADS)

    Tran, C.-D.; Lucas, S.; Phillips, D. G.; Randeniya, L. K.; Baughman, R. H.; Tran-Cong, T.

    2011-04-01

    A direct process for manufacturing polymer carbon nanotube (CNT)-based composite yarns is reported. The new approach is based on a modified dry spinning method of CNT yarn and gives a high alignment of the CNT bundle structure in yarns. The aligned CNT structure was combined with a polymer resin and, after being stressed through the spinning process, the resin was cured and polymerized, with the CNT structure acting as reinforcement in the composite. Thus the present method obviates the need for special and complex treatments to align and disperse CNTs in a polymer matrix. The new process allows us to produce a polymer/CNT composite with properties that may satisfy various engineering specifications. The structure of the yarn was investigated using scanning electron microscopy coupled with a focused-ion-beam system. The tensile behavior was characterized using a dynamic mechanical analyzer. Fourier transform infrared spectrometry was also used to chemically analyze the presence of polymer on the composites. The process allows development of polymer/CNT-based composites with different mechanical properties suitable for a range of applications by using various resins.

  12. Poly(ether ester) Ionomers as Water-Soluble Polymers for Material Extrusion Additive Manufacturing Processes.

    PubMed

    Pekkanen, Allison M; Zawaski, Callie; Stevenson, André T; Dickerman, Ross; Whittington, Abby R; Williams, Christopher B; Long, Timothy E

    2017-04-12

    Water-soluble polymers as sacrificial supports for additive manufacturing (AM) facilitate complex features in printed objects. Few water-soluble polymers beyond poly(vinyl alcohol) enable material extrusion AM. In this work, charged poly(ether ester)s with tailored rheological and mechanical properties serve as novel materials for extrusion-based AM at low temperatures. Melt transesterification of poly(ethylene glycol) (PEG, 8k) and dimethyl 5-sulfoisophthalate afforded poly(ether ester)s of sufficient molecular weight to impart mechanical integrity. Quantitative ion exchange provided a library of poly(ether ester)s with varying counterions, including both monovalent and divalent cations. Dynamic mechanical and tensile analysis revealed an insignificant difference in mechanical properties for these polymers below the melting temperature, suggesting an insignificant change in final part properties. Rheological analysis, however, revealed the advantageous effect of divalent countercations (Ca(2+), Mg(2+), and Zn(2+)) in the melt state and exhibited an increase in viscosity of two orders of magnitude. Furthermore, time-temperature superposition identified an elevation in modulus, melt viscosity, and flow activation energy, suggesting intramolecular interactions between polymer chains and a higher apparent molecular weight. In particular, extrusion of poly(PEG8k-co-CaSIP) revealed vast opportunities for extrusion AM of well-defined parts. The unique melt rheological properties highlighted these poly(ether ester) ionomers as ideal candidates for low-temperature material extrusion additive manufacturing of water-soluble parts.

  13. Theory of polymer-dispersed cholesteric liquid crystals

    SciTech Connect

    Matsuyama, Akihiko

    2013-11-07

    A mean field theory is presented to describe cholesteric phases in mixtures of a polymer and a cholesteric liquid crystal. Taking into account an anisotropic coupling between a polymer and a liquid crystal, we examine the helical pitch, twist elastic constant, and phase separations. Analytical expressions of the helical pitch of a cholesteric phase and the twist elastic constant are derived as a function of the orientational order parameters of a polymer and a liquid crystal and two intermolecular interaction parameters. We also find isotropic-cholesteric, cholesteric-cholesteric phase separations, and polymer-induced cholesteric phase on the temperature-concentration plane. We demonstrate that an anisotropic coupling between a polymer and a liquid crystal can stabilize a cholesteric phase in the mixtures. Our theory can also apply to mixtures of a nematic liquid crystal and a chiral dopant. We discuss the helical twisting power, which depends on temperature, concentration, and orientational order parameters. It is shown that our theory can qualitatively explain experimental observations.

  14. Theory of polymer-dispersed cholesteric liquid crystals.

    PubMed

    Matsuyama, Akihiko

    2013-11-07

    A mean field theory is presented to describe cholesteric phases in mixtures of a polymer and a cholesteric liquid crystal. Taking into account an anisotropic coupling between a polymer and a liquid crystal, we examine the helical pitch, twist elastic constant, and phase separations. Analytical expressions of the helical pitch of a cholesteric phase and the twist elastic constant are derived as a function of the orientational order parameters of a polymer and a liquid crystal and two intermolecular interaction parameters. We also find isotropic-cholesteric, cholesteric-cholesteric phase separations, and polymer-induced cholesteric phase on the temperature-concentration plane. We demonstrate that an anisotropic coupling between a polymer and a liquid crystal can stabilize a cholesteric phase in the mixtures. Our theory can also apply to mixtures of a nematic liquid crystal and a chiral dopant. We discuss the helical twisting power, which depends on temperature, concentration, and orientational order parameters. It is shown that our theory can qualitatively explain experimental observations.

  15. Advanced Thermoplastic Polymers and Additive Manufacturing Applied to ISS Columbus Toolbox: Lessons Learnt and Results

    NASA Astrophysics Data System (ADS)

    Ferrino, Marinella; Secondo, Ottaviano; Sabbagh, Amir; Della Sala, Emilio

    2014-06-01

    In the frame of the International Space Station (ISS) Exploitation Program a new toolbox has been realized by TAS-I to accommodate the tools currently in use on the ISS Columbus Module utilizing full-scale prototypes obtained with 3D rapid prototyping. The manufacturing of the flight hardware by means of advanced thermoplastic polymer UL TEM 9085 and additive manufacturing Fused Deposition Modelling (FDM) technology represent innovative elements. In this paper, the results achieved and the lessons learned are analyzed to promote future technology know-how. The acquired experience confirmed that the additive manufacturing process allows to save time/cost and to realize new shapes/features to introduce innovation in products and future design processes for space applications.

  16. Lattice cluster theory for polymer melts with specific interactions

    SciTech Connect

    Xu, Wen-Sheng; Freed, Karl F.

    2014-07-28

    Despite the long-recognized fact that chemical structure and specific interactions greatly influence the thermodynamic properties of polymer systems, a predictive molecular theory that enables systematically addressing the role of chemical structure and specific interactions has been slow to develop even for polymer melts. While the lattice cluster theory (LCT) provides a powerful vehicle for understanding the influence of various molecular factors, such as monomer structure, on the thermodynamic properties of polymer melts and blends, the application of the LCT has heretofore been limited to the use of the simplest polymer model in which all united atom groups within the monomers of a species interact with a common monomer averaged van der Waals energy. Thus, the description of a compressible polymer melt involves a single van der Waals energy. As a first step towards developing more realistic descriptions to aid in the analysis of experimental data and the design of new materials, the LCT is extended here to treat models of polymer melts in which the backbone and side groups have different interaction strengths, so three energy parameters are present, namely, backbone-backbone, side group-side group, and backbone-side group interaction energies. Because of the great algebraic complexity of this extension, we retain maximal simplicity within this class of models by further specializing this initial study to models of polymer melts comprising chains with poly(n-α-olefin) structures where only the end segments on the side chains may have different, specific van der Waals interaction energies with the other united atom groups. An analytical expression for the LCT Helmholtz free energy is derived for the new model. Illustrative calculations are presented to demonstrate the degree to which the thermodynamic properties of polymer melts can be controlled by specific interactions.

  17. Lattice cluster theory for polymer melts with specific interactions

    NASA Astrophysics Data System (ADS)

    Xu, Wen-Sheng; Freed, Karl F.

    2014-07-01

    Despite the long-recognized fact that chemical structure and specific interactions greatly influence the thermodynamic properties of polymer systems, a predictive molecular theory that enables systematically addressing the role of chemical structure and specific interactions has been slow to develop even for polymer melts. While the lattice cluster theory (LCT) provides a powerful vehicle for understanding the influence of various molecular factors, such as monomer structure, on the thermodynamic properties of polymer melts and blends, the application of the LCT has heretofore been limited to the use of the simplest polymer model in which all united atom groups within the monomers of a species interact with a common monomer averaged van der Waals energy. Thus, the description of a compressible polymer melt involves a single van der Waals energy. As a first step towards developing more realistic descriptions to aid in the analysis of experimental data and the design of new materials, the LCT is extended here to treat models of polymer melts in which the backbone and side groups have different interaction strengths, so three energy parameters are present, namely, backbone-backbone, side group-side group, and backbone-side group interaction energies. Because of the great algebraic complexity of this extension, we retain maximal simplicity within this class of models by further specializing this initial study to models of polymer melts comprising chains with poly(n-α-olefin) structures where only the end segments on the side chains may have different, specific van der Waals interaction energies with the other united atom groups. An analytical expression for the LCT Helmholtz free energy is derived for the new model. Illustrative calculations are presented to demonstrate the degree to which the thermodynamic properties of polymer melts can be controlled by specific interactions.

  18. Flow induced migration in polymer melts – Theory and simulation

    SciTech Connect

    Dorgan, John Robert Rorrer, Nicholas Andrew

    2015-04-28

    Flow induced migration, whereby polymer melts are fractionated by molecular weight across a flow field, represents a significant complication in the processing of polymer melts. Despite its long history, such phenomena remain relatively poorly understood. Here a simple analytical theory is presented which predicts the phenomena based on well-established principles of non-equilibrium thermodynamics. It is unambiguously shown that for purely viscous materials, a gradient in shear rate is needed to drive migration; for purely viscometric flows no migration is expected. Molecular scale simulations of flow migration effects in dense polymer melts are also presented. In shear flow the melts exhibit similar behavior as the quiescent case; a constant shear rate across the gap does not induce chain length based migration. In comparison, parabolic flow causes profound migration for both unentangled and entangled melts. These findings are consistent with the analytical theory. The picture that emerges is consistent with flow induced migration mechanisms predominating over competing chain degradation mechanisms.

  19. A Fully Non-Metallic Gas Turbine Engine Enabled by Additive Manufacturing Part I: System Analysis, Component Identification, Additive Manufacturing, and Testing of Polymer Composites

    NASA Technical Reports Server (NTRS)

    Grady, Joseph E.; Haller, William J.; Poinsatte, Philip E.; Halbig, Michael C.; Schnulo, Sydney L.; Singh, Mrityunjay; Weir, Don; Wali, Natalie; Vinup, Michael; Jones, Michael G.; hide

    2015-01-01

    The research and development activities reported in this publication were carried out under NASA Aeronautics Research Institute (NARI) funded project entitled "A Fully Nonmetallic Gas Turbine Engine Enabled by Additive Manufacturing." The objective of the project was to conduct evaluation of emerging materials and manufacturing technologies that will enable fully nonmetallic gas turbine engines. The results of the activities are described in three part report. The first part of the report contains the data and analysis of engine system trade studies, which were carried out to estimate reduction in engine emissions and fuel burn enabled due to advanced materials and manufacturing processes. A number of key engine components were identified in which advanced materials and additive manufacturing processes would provide the most significant benefits to engine operation. The technical scope of activities included an assessment of the feasibility of using additive manufacturing technologies to fabricate gas turbine engine components from polymer and ceramic matrix composites, which were accomplished by fabricating prototype engine components and testing them in simulated engine operating conditions. The manufacturing process parameters were developed and optimized for polymer and ceramic composites (described in detail in the second and third part of the report). A number of prototype components (inlet guide vane (IGV), acoustic liners, engine access door) were additively manufactured using high temperature polymer materials. Ceramic matrix composite components included turbine nozzle components. In addition, IGVs and acoustic liners were tested in simulated engine conditions in test rigs. The test results are reported and discussed in detail.

  20. Strategic drivers of contract manufacturing: Part I, The theory.

    PubMed

    Tomlinson, Geoff; Geimer, Harald

    2002-12-01

    Medical device manufacturers and diagnostics companies have significantly increased their use of contract manufacturers to outsource production of components. This, the first of a two-part article, reviews strategic benefits and best practices in outsourcing.

  1. Electric poling-assisted additive manufacturing process for PVDF polymer-based piezoelectric device applications

    NASA Astrophysics Data System (ADS)

    Lee, ChaBum; Tarbutton, Joshua A.

    2014-09-01

    This paper presents a new additive manufacturing (AM) process to directly and continuously print piezoelectric devices from polyvinylidene fluoride (PVDF) polymeric filament rods under a strong electric field. This process, called ‘electric poling-assisted additive manufacturing or EPAM, combines AM and electric poling processes and is able to fabricate free-form shape piezoelectric devices continuously. In this process, the PVDF polymer dipoles remain well-aligned and uniform over a large area in a single design, production and fabrication step. During EPAM process, molten PVDF polymer is simultaneously mechanically stresses in-situ by the leading nozzle and electrically poled by applying high electric field under high temperature. The EPAM system was constructed to directly print piezoelectric structures from PVDF polymeric filament while applying high electric field between nozzle tip and printing bed in AM machine. Piezoelectric devices were successfully fabricated using the EPAM process. The crystalline phase transitions that occurred from the process were identified by using the Fourier transform infrared spectroscope. The results indicate that devices printed under a strong electric field become piezoelectric during the EPAM process and that stronger electric fields result in greater piezoelectricity as marked by the electrical response and the formation of sharper peaks at the polar β crystalline wavenumber of the PVDF polymer. Performing this process in the absence of an electric field does not result in dipole alignment of PVDF polymer. The EPAM process is expected to lead to the widespread use of AM to fabricate a variety of piezoelectric PVDF polymer-based devices for sensing, actuation and energy harvesting applications with simple, low cost, single processing and fabrication step.

  2. Athermal achromat theory for polymer gradient index optics

    NASA Astrophysics Data System (ADS)

    Beadie, G.; Flynn, R. A.

    2017-05-01

    Previous work identified a lens design in which a polymer GRIN element was able to simultaneously correct for firstorder color and temperature variations of a glass singlet. This work presents a materials-based theory, rooted in paraxial optics, that explains this correction and identifies relationships among the GRIN and glass materials which must hold for the correction to be effective. This result provides a path for using polymer optics, with their relatively large thermophysical and thermo-optic coefficients, in passively corrected optical systems over significant temperature ranges.

  3. Studies in process modeling, design, monitoring, and control, with applications to polymer composites manufacturing

    NASA Astrophysics Data System (ADS)

    Srinivasagupta, Deepak

    2002-01-01

    High material and manufacturing costs have hindered the introduction of advanced polymer composite materials into mainstream civilian applications such as automotive. Even though high-fidelity models for several polymer composite manufacturing processes have become available over the past several years and offer significant benefits in manufacturing cost reduction, concerns about their inflexibility and maintenance has adversely affected their widespread usage. This research seeks to advance process modeling and design in polymer composites manufacturing to address these concerns. Other more general issues in measurement validation and distributed control are also addressed. Using a rigorous 3-D model of the injected pultrusion (IP) process validated recently, an algorithm was developed for process and equipment design with integrated economic, operability and environmental considerations. The optimum design promised enhanced throughput as well as reduction in the time and expenses of the current purely experimental approaches. Scale-up issues in IP were analyzed, and refinements to overcome some drawbacks in the model were suggested. The process model was then extended to simulate the co-injection resin transfer molding (CIRTM) process used for manufacture of foam-core sandwich composites. A 1-D isothermal model for real-time control was also developed. Process optimization using these models and experimental parametric studies increased the debond fracture toughness of sandwiches by 78% over current technology. To ensure the availability of validated measurements from process instrumentation, a novel in-situ sensor modeling approach to sensor validation was proposed. Both active and passive, time and frequency domain techniques were developed, and experimentally verified using temperature and flow sensors. A model-based dynamic estimator to predict the true measurement online was also validated. The effect of network communication delay on stability and control

  4. Theory of nanoparticle diffusion in unentangled and entangled polymer melts.

    PubMed

    Yamamoto, Umi; Schweizer, Kenneth S

    2011-12-14

    We propose a statistical dynamical theory for the violation of the hydrodynamic Stokes-Einstein (SE) diffusion law for a spherical nanoparticle in entangled and unentangled polymer melts based on a combination of mode coupling, Brownian motion, and polymer physics ideas. The non-hydrodynamic friction coefficient is related to microscopic equilibrium structure and the length-scale-dependent polymer melt collective density fluctuation relaxation time. When local packing correlations are neglected, analytic scaling laws (with numerical prefactors) in various regimes are derived for the non-hydrodynamic diffusivity as a function of particle size, polymer radius-of-gyration, tube diameter, degree of entanglement, melt density, and temperature. Entanglement effects are the origin of large SE violations (orders of magnitude mobility enhancement) which smoothly increase as the ratio of particle radius to tube diameter decreases. Various crossover conditions for the recovery of the SE law are derived, which are qualitatively distinct for unentangled and entangled melts. The dynamical influence of packing correlations due to both repulsive and interfacial attractive forces is investigated. A central finding is that melt packing fraction, temperature, and interfacial attraction strength all influence the SE violation in qualitatively different directions depending on whether the polymers are entangled or not. Entangled systems exhibit seemingly anomalous trends as a function of these variables as a consequence of the non-diffusive nature of collective density fluctuation relaxation and the different response of polymer-particle structural correlations to adsorption on the mesoscopic entanglement length scale. The theory is in surprisingly good agreement with recent melt experiments, and new parametric studies are suggested. © 2011 American Institute of Physics

  5. Theory of Nanoparticle Diffusion in Unentangled and Entangled Polymer Melts.

    SciTech Connect

    Yamamoto, U.; Schweizer, Kenneth

    2011-01-01

    We propose a statistical dynamical theory for the violation of the hydrodynamic Stokes-Einstein (SE) diffusion law for a spherical nanoparticle in entangled and unentangled polymer melts based on a combination of mode coupling, Brownian motion, and polymer physics ideas. The non-hydrodynamic friction coefficient is related to microscopic equilibrium structure and the length-scale-dependent polymer melt collective density fluctuation relaxation time. When local packing correlations are neglected, analytic scaling laws (with numerical prefactors) in various regimes are derived for the non-hydrodynamic diffusivity as a function of particle size, polymer radius-of-gyration, tube diameter, degree of entanglement, melt density, and temperature. Entanglement effects are the origin of large SE violations (orders of magnitude mobility enhancement) which smoothly increase as the ratio of particle radius to tube diameter decreases. Various crossover conditions for the recovery of the SE law are derived, which are qualitatively distinct for unentangled and entangled melts. The dynamical influence of packing correlations due to both repulsive and interfacial attractive forces is investigated. A central finding is that melt packing fraction, temperature, and interfacial attraction strength all influence the SE violation in qualitatively different directions depending on whether the polymers are entangled or not. Entangled systems exhibit seemingly anomalous trends as a function of these variables as a consequence of the non-diffusive nature of collective density fluctuation relaxation and the different response of polymer-particle structural correlations to adsorption on the mesoscopic entanglement length scale. The theory is in surprisingly good agreement with recent melt experiments, and new parametric studies are suggested.

  6. Hamiltonian constraint in polymer parametrized field theory

    NASA Astrophysics Data System (ADS)

    Laddha, Alok; Varadarajan, Madhavan

    2011-01-01

    Recently, a generally covariant reformulation of two-dimensional flat spacetime free scalar field theory known as parametrized field theory was quantized using loop quantum gravity (LQG) type “polymer” representations. Physical states were constructed, without intermediate regularization structures, by averaging over the group of gauge transformations generated by the constraints, the constraint algebra being a Lie algebra. We consider classically equivalent combinations of these constraints corresponding to a diffeomorphism and a Hamiltonian constraint, which, as in gravity, define a Dirac algebra. Our treatment of the quantum constraints parallels that of LQG and obtains the following results, expected to be of use in the construction of the quantum dynamics of LQG: (i) the (triangulated) Hamiltonian constraint acts only on vertices, its construction involves some of the same ambiguities as in LQG and its action on diffeomorphism invariant states admits a continuum limit, (ii) if the regulating holonomies are in representations tailored to the edge labels of the state, all previously obtained physical states lie in the kernel of the Hamiltonian constraint, (iii) the commutator of two (density weight 1) Hamiltonian constraints as well as the operator correspondent of their classical Poisson bracket converge to zero in the continuum limit defined by diffeomorphism invariant states, and vanish on the Lewandowski-Marolf habitat, (iv) the rescaled density 2 Hamiltonian constraints and their commutator are ill-defined on the Lewandowski-Marolf habitat despite the well-definedness of the operator correspondent of their classical Poisson bracket there, (v) there is a new habitat which supports a nontrivial representation of the Poisson-Lie algebra of density 2 constraints.

  7. Propagation in polymer parameterised field theory

    NASA Astrophysics Data System (ADS)

    Varadarajan, Madhavan

    2017-01-01

    The Hamiltonian constraint operator in loop quantum gravity acts ultralocally. Smolin has argued that this ultralocality seems incompatible with the existence of a quantum dynamics which propagates perturbations between macroscopically seperated regions of quantum geometry. We present evidence to the contrary within an LQG type ‘polymer’ quantization of two dimensional parameterised field theory (PFT). PFT is a generally covariant reformulation of free field propagation on flat spacetime. We show explicitly that while, as in LQG, the Hamiltonian constraint operator in PFT acts ultralocally, states in the joint kernel of the Hamiltonian and diffeomorphism constraints of PFT necessarily describe propagation effects. The particular structure of the finite triangulation Hamiltonian constraint operator plays a crucial role, as does the necessity of imposing (the continuum limit of) its kinematic adjoint as a constraint. Propagation is seen as a property encoded by physical states in the kernel of the constraints rather than that of repeated actions of the finite triangulation Hamiltonian constraint on kinematic states. The analysis yields robust structural lessons for putative constructions of the Hamiltonian constraint in LQG for which ultralocal action co-exists with a description of propagation effects by physical states.

  8. Theory of liquid crystal elastomers and polymer networks : Connection between neoclassical theory and differential geometry.

    PubMed

    Nguyen, Thanh-Son; Selinger, Jonathan V

    2017-09-01

    In liquid crystal elastomers and polymer networks, the orientational order of liquid crystals is coupled with elastic distortions of crosslinked polymers. Previous theoretical research has described these materials through two different approaches: a neoclassical theory based on the liquid crystal director and the deformation gradient tensor, and a geometric elasticity theory based on the difference between the actual metric tensor and a reference metric. Here, we connect those two approaches using a formalism based on differential geometry. Through this connection, we determine how both the director and the geometry respond to a change of temperature.

  9. Mesoscale 3D manufacturing: varying focusing conditions for efficient direct laser writing of polymers

    NASA Astrophysics Data System (ADS)

    Jonušauskas, Linas; Malinauskas, Mangirdas

    2014-05-01

    In this paper, we report a novel approach for efficient fabrication of mesoscale polymer 3D microstructures. It is implemented by direct laser writing varying exposure beam focusing conditions. By carefully optimizing the fabrication parameters (laser intensity, scanning velocity/exposure time, changing objective lens) complex 3D geometries of the microstructures can be obtained rapidly. Additionally, we demonstrate this without the use of the photoinitiator as photosensitizer doped in the pre-polymer material (SZ2080). At femtosecond pulsed irradiation ~TW/cm² intensities the localized free radical polymerization is achieved via avalanche induced bond braking. Such microstructures have unique biocompatibility and optical transparency as well as optical damage threshold value. By creating the bulk part of the structure using low-NA (0.45) objective and subsequently fabricating the fine features using oil immersion high-NA (1.4) objective the manufacturing time is reduced dramatically (30x is demonstrated). Using this two objective method a prototype of functional microdevice was produced: 80 and 85 µm diameter microfluidic tubes with the fine filter consisting of 4 µm period grating structure that has 400 nm wide threads, which corresponds to a feature precision aspect ratio of ~200. Therefore, such method has great potential as a polymer fabrication tool for mesoscale optical, photonic and biomedical applications as well as highly integrated 3D µ-systems. Furthermore, the proposed approach is not limited to lithography and can be implemented in a more general type of laser writing, such as inscription within transparent materials or substractive manufacturing by ablation.

  10. Magnetically anisotropic additive for scalable manufacturing of polymer nanocomposite: iron-coated carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Yamamoto, Namiko; Manohara, Harish; Platzman, Ellen

    2016-02-01

    Novel nanoparticles additives for polymer nanocomposites were prepared by coating carbon nanotubes (CNTs) with ferromagnetic iron (Fe) layers, so that their micro-structures can be bulk-controlled by external magnetic field application. Application of magnetic fields is a promising, scalable method to deliver bulk amount of nanocomposites while maintaining organized nanoparticle assembly throughout the uncured polymer matrix. In this work, Fe layers (˜18 nm thick) were deposited on CNTs (˜38 nm diameter and ˜50 μm length) to form thin films with high aspect ratio, resulting in a dominance of shape anisotropy and thus high coercivity of ˜50-100 Oe. The Fe-coated CNTs were suspended in water and applied with a weak magnetic field of ˜75 G, and yet preliminary magnetic assembly was confirmed. Our results demonstrate that the fabricated Fe-coated CNTs are magnetically anisotropic and effectively respond to magnetic fields that are ˜103 times smaller than other existing work (˜105 G). We anticipate this work will pave the way for effective property enhancement and bulk application of CNT-polymer nanocomposites, through controlled micro-structure and scalable manufacturing.

  11. Robust manufacturing of lipid-polymer nanoparticles through feedback control of parallelized swirling microvortices.

    PubMed

    Toth, Michael J; Kim, Taeyoung; Kim, YongTae

    2017-08-08

    A variety of therapeutic and/or diagnostic nanoparticles (NPs), or nanomedicines, have been formulated for improved drug delivery and imaging applications. Microfluidic technology enables continuous and highly reproducible synthesis of NPs through controlled mixing processes at the micro- and nanoscale. Yet, the inherent low-throughput remains a critical roadblock, precluding the probable applications of new nanomedicines for clinical translation. Here we present robust manufacturing of lipid-polymer NPs (LPNPs) through feedback controlled operation of parallelized swirling microvortex reactors (SMRs). We demonstrate the capability of a single SMR to continuously produce multicomponent NPs and the high-throughput performance of parallelized SMRs for large-scale production (1.8 kg d(-1)) of LPNPs while maintaining the physicochemical properties. Finally, we present robust and reliable manufacturing of NPs by integrating the parallelized SMR platform with our custom high-precision feedback control system that addresses unpredictable disturbances during the production. Our approach may contribute to efficient development and optimization of a wide range of multicomponent NPs for medical imaging and drug delivery, ultimately facilitating good manufacturing practice (GMP) production and accelerating the clinical translation.

  12. Manufacture of porous biodegradable polymer conduits by an extrusion process for guided tissue regeneration

    NASA Technical Reports Server (NTRS)

    Widmer, M. S.; Gupta, P. K.; Lu, L.; Meszlenyi, R. K.; Evans, G. R.; Brandt, K.; Savel, T.; Gurlek, A.; Patrick, C. W. Jr; Mikos, A. G.; hide

    1998-01-01

    We have fabricated porous, biodegradable tubular conduits for guided tissue regeneration using a combined solvent casting and extrusion technique. The biodegradable polymers used in this study were poly(DL-lactic-co-glycolic acid) (PLGA) and poly(L-lactic acid) (PLLA). A polymer/salt composite was first prepared by a solvent casting process. After drying, the composite was extruded to form a tubular construct. The salt particles in the construct were then leached out leaving a conduit with an open-pore structure. PLGA was studied as a model polymer to analyze the effects of salt weight fraction, salt particle size, and processing temperature on porosity and pore size of the extruded conduits. The porosity and pore size were found to increase with increasing salt weight fraction. Increasing the salt particle size increased the pore diameter but did not affect the porosity. High extrusion temperatures decreased the pore diameter without altering the porosity. Greater decrease in molecular weight was observed for conduits manufactured at higher temperatures. The mechanical properties of both PLGA and PLLA conduits were tested after degradation in vitro for up to 8 weeks. The modulus and failure strength of PLLA conduits were approximately 10 times higher than those of PLGA conduits. Failure strain was similar for both conduits. After degradation for 8 weeks, the molecular weights of the PLGA and PLLA conduits decreased to 38% and 43% of the initial values, respectively. However, both conduits maintained their shape and did not collapse. The PLGA also remained amorphous throughout the time course, while the crystallinity of PLLA increased from 5.2% to 11.5%. The potential of seeding the conduits with cells for transplantation or with biodegradable polymer microparticles for drug delivery was also tested with dyed microspheres. These porous tubular structures hold great promise for the regeneration of tissues which require tubular scaffolds such as peripheral nerve

  13. Manufacture of porous biodegradable polymer conduits by an extrusion process for guided tissue regeneration.

    PubMed

    Widmer, M S; Gupta, P K; Lu, L; Meszlenyi, R K; Evans, G R; Brandt, K; Savel, T; Gurlek, A; Patrick, C W; Mikos, A G

    1998-11-01

    We have fabricated porous, biodegradable tubular conduits for guided tissue regeneration using a combined solvent casting and extrusion technique. The biodegradable polymers used in this study were poly(DL-lactic-co-glycolic acid) (PLGA) and poly(L-lactic acid) (PLLA). A polymer/salt composite was first prepared by a solvent casting process. After drying, the composite was extruded to form a tubular construct. The salt particles in the construct were then leached out leaving a conduit with an open-pore structure. PLGA was studied as a model polymer to analyze the effects of salt weight fraction, salt particle size, and processing temperature on porosity and pore size of the extruded conduits. The porosity and pore size were found to increase with increasing salt weight fraction. Increasing the salt particle size increased the pore diameter but did not affect the porosity. High extrusion temperatures decreased the pore diameter without altering the porosity. Greater decrease in molecular weight was observed for conduits manufactured at higher temperatures. The mechanical properties of both PLGA and PLLA conduits were tested after degradation in vitro for up to 8 weeks. The modulus and failure strength of PLLA conduits were approximately 10 times higher than those of PLGA conduits. Failure strain was similar for both conduits. After degradation for 8 weeks, the molecular weights of the PLGA and PLLA conduits decreased to 38% and 43% of the initial values, respectively. However, both conduits maintained their shape and did not collapse. The PLGA also remained amorphous throughout the time course, while the crystallinity of PLLA increased from 5.2% to 11.5%. The potential of seeding the conduits with cells for transplantation or with biodegradable polymer microparticles for drug delivery was also tested with dyed microspheres. These porous tubular structures hold great promise for the regeneration of tissues which require tubular scaffolds such as peripheral nerve

  14. Evaluation of hybrid polymers for high-precision manufacturing of 3D optical interconnects by two-photon absorption lithography

    NASA Astrophysics Data System (ADS)

    Schleunitz, A.; Klein, J. J.; Krupp, A.; Stender, B.; Houbertz, R.; Gruetzner, G.

    2017-02-01

    The fabrication of optical interconnects has been widely investigated for the generation of optical circuit boards. Twophoton absorption (TPA) lithography (or high-precision 3D printing) as an innovative production method for direct manufacture of individual 3D photonic structures gains more and more attention when optical polymers are employed. In this regard, we have evaluated novel ORMOCER-based hybrid polymers tailored for the manufacture of optical waveguides by means of high-precision 3D printing. In order to facilitate future industrial implementation, the processability was evaluated and the optical performance of embedded waveguides was assessed. The results illustrate that hybrid polymers are not only viable consumables for industrial manufacture of polymeric micro-optics using generic processes such as UV molding. They also are potential candidates to fabricate optical waveguide systems down to the chip level where TPA-based emerging manufacturing techniques are engaged. Hence, it is shown that hybrid polymers continue to meet the increasing expectations of dynamically growing markets of micro-optics and optical interconnects due to the flexibility of the employed polymer material concept.

  15. Microscopic theory for dynamics in entangled polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Yamamoto, Umi

    New microscopic theories for describing dynamics in polymer nanocomposites are developed and applied. The problem is addressed from two distinct perspectives and using two different theoretical approaches. The first half of this dissertation studies the long-time and intermediate-time dynamics of nanoparticles in entangled and unentangled polymer melts for dilute particle concentrations. Using a combination of mode-coupling, Brownian motion, and polymer physics ideas, the nanoparticle long-time diffusion coefficients is formulated in terms of multiple length-scales, packing microstructures, and spatially-resolved polymer density fluctuation dynamics. The key motional mechanism is described via the parallel relaxation of the force exerted on the particle controlled by collective polymer constraint-release and the particle self-motion. A sharp but smooth crossover from the hydrodynamic to the non-hydrodynamic regime is predicted based on the Stokes-Einstein violation ratio as a function of all the system variables. Quantitative predictions are made for the recovery of the Stokes-Einstein law, and the diffusivity in the crossover regime agrees surprisingly well with large-scale molecular dynamics simulations for all particle sizes and chain lengths studied. The approach is also extended to address intermediate-time anomalous transport of a single nanoparticle and two-particle relative diffusion. The second half of this dissertation focuses on developing a novel dynamical theory for a liquid of infinitely-thin rods in the presence of hard spherical obstacles, aiming at a technical and conceptual extension of the existing paradigm for entangled polymer dynamics. As a fundamental theoretical development, the two-component generalization of a first-principles dynamic meanfield approach is presented. The theory enforces inter-needle topological uncrossability and needlesphere impenetrability in a unified manner, leading to a generalized theory of entanglements that

  16. Theory of exciton transfer and diffusion in conjugated polymers

    SciTech Connect

    Barford, William; Tozer, Oliver Robert

    2014-10-28

    We describe a theory of Förster-type exciton transfer between conjugated polymers. The theory is built on three assumptions. First, we assume that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, and described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω < J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. The resulting expression for the exciton transfer rate has a familiar form, being a function of the exciton transfer integral and the effective Franck-Condon factors. The effective Franck-Condon factors are functions of the effective Huang-Rhys parameters, which are inversely proportional to the chromophore size. The Born-Oppenheimer expressions were checked against DMRG calculations, and are found to be within 10% of the exact value for a tiny fraction of the computational cost. This theory of exciton transfer is then applied to model exciton migration in conformationally disordered poly(p-phenylene vinylene). Key to this modeling is the assumption that the donor and acceptor chromophores are defined by local exciton ground states (LEGSs). Since LEGSs are readily determined by the exciton center-of-mass wavefunction, this theory provides a quantitative link between polymer conformation and exciton migration. Our Monte Carlo simulations indicate that the exciton diffusion length depends weakly on the conformation of the polymer, with the diffusion length increasing slightly as the chromophores became straighter and longer. This is largely a geometrical effect: longer and straighter chromophores extend over larger distances. The calculated diffusion lengths of ∼10 nm are in good agreement with experiment. The spectral

  17. Correlations in polymer blends: Simulations, perturbation theory, and coarse-grained theory

    NASA Astrophysics Data System (ADS)

    Chung, Jun Kyung

    A thermodynamic perturbation theory of symmetric polymer blends is developed that properly accounts for the correlation in the spatial arrangement of monomers. By expanding the free energy of mixing in powers of a small parameter alpha which controls the incompatibility of two monomer species, we show that the perturbation theory has the form of the original Flory-Huggins theory, to first order in alpha. However, the lattice coordination number in the original theory is replaced by an effective coordination number. A random walk model for the effective coordination number is found to describe Monte Carlo simulation data very well. We also propose a way to estimate Flory-Huggins chi parameter by extrapolating the perturbation theory to the limit of a hypothetical system of infinitely long chains. The first order perturbation theory yields an accurate estimation of chi to first order in alpha. Going to second order, however, turns out to be more involved and an unambiguous determination of the coefficient of alpha2 term is not possible at the moment. Lastly, we test the predictions of a renormalized one-loop theory of fluctuations using two coarse-grained models of symmetric polymer blends at the critical composition. It is found that the theory accurately describes the correlation effect for relatively small values of chiN. In addition, the universality assumption of coarse-grained models is examined and we find results that are supportive of it.

  18. Application of TRIZ Theory in Patternless Casting Manufacturing Technique

    NASA Astrophysics Data System (ADS)

    Yang, Weidong; Gan, Dequan; Jiang, Ping; Tian, Yumei

    The ultimate goal of Patternless Casting Manufacturing (referred to as PCM) is how to obtain the casts by casting the sand mold directly. In the previous PCM, the resin content of sand mold is much higher than that required by traditional resin sand, so the casts obtained are difficult to be sound and qualified products, which limits the application of this technique greatly. In this paper, the TRIZ algorithm is introduced to the innovation process in PCM systematically.

  19. Tribology of Polymer Matrix Composites (PMCs) Fabricated by Additive Manufacturing (AM)

    NASA Technical Reports Server (NTRS)

    Gupta, S.; Dunnigan, R.; Salem, A.; Kuentz, L.; Halbig, M. C.; Singh, M.

    2016-01-01

    The integral process of depositing thin layers of material, one after another, until the designed component is created is collectively referred to as Additive Manufacturing (AM). Fused deposition process (FDP) is a type of AM where feedstock is extruded into filaments which then are deposited by 3D printing, and the solidification occurs during cooling of the melt. Currently, complex structures are being fabricated by commercial and open source desktop 3D printers. Recently, metal powder containing composite filaments based on polylactic acid (PLA) and acrylonitrile butadiene styrene (ABS) have emerged, which could be utilized for multifunctional applications. For further deployment in the field, especially for aerospace and ground-based applications, it is critical to understand the tribological behavior of 3D printed materials. In this presentation, we will report the tribological behavior of different polymer matrix composites fabricated by fused deposition process. These results will be compared with the base polymer systems. During this study, the tribological behavior of all the samples will be evaluated with tab-on-disc method and compared for different metallic powder reinforcements.

  20. Two-dimensional polymeric liquids and polymer stars: learning from conflicting theories

    NASA Astrophysics Data System (ADS)

    Johner, A.; Thalmann, F.; Baschnagel, J.; Meyer, H.; Obukhov, S.; Wittmer, J. P.

    2014-04-01

    We discuss systems for which two carefully derived, yet conflicting, theories coexisted. Dense polymers in two dimensions and star-shaped polymers in the θ-regime are considered. In both cases the two proposed theories are in a sense exact, but turn out to satisfy different crossing rules (for the 2d polymer) or to correspond to different orders of limits. Finally, both theories prove very useful, albeit for different subclasses of physical systems.

  1. Surfactant self-assembly in oppositely charged polymer networks. Theory.

    PubMed

    Hansson, Per

    2009-10-01

    The interaction of ionic surfactants with polyion networks of opposite charge in an aqueous environment is analyzed theoretically by applying a recent theory of surfactant ion-polyion complex salts (J. Colloid. Int. Sci. 2009, 332, 183). The theory takes into account attractive and repulsive polyion-mediated interactions between the micelles, the deformation of the polymer network, the mixing of micelles, polyion chains, and simple ions with water, and the hydrophobic free energy at the micelle surface. The theory is used to calculate binding isotherms, swelling isotherms, surfactant aggregation numbers, compositions of complexes,and phase structure under various conditions. Factors controlling the gel volume transition and conditions for core/shell phase coexistence are investigated in detail, as well as the influence of salt. In particular, the interplay between electrostatic and elastic interactions is highlighted. Results from theory are compared with experimental data reported in the literature. The agreement is found to be semiquantitative or qualitative. The theory explains both the discrete volume transition observed in systems where the surfactant is in excess over the polyion and the core/shell phase coexistence in systems where the polyion is in excess.

  2. Polymer/Silicate Nanocomposites Used to Manufacture Gas Storage Tanks With Reduced Permeability

    NASA Technical Reports Server (NTRS)

    Campbell, Sandi G.; Johnston, Chris

    2004-01-01

    Over the past decade, there has been considerable research in the area of polymer-layered silicate nanocomposites. This research has shown that the dispersion of small amounts of an organically modified layered silicate improves the polymer strength, modulus, thermal stability, and barrier properties. There have been several reports on the dispersion of layered silicates in an epoxy matrix. Potential enhancements to the barrier properties of epoxy/silicate nanocomposites make this material attractive for low permeability tankage. Polymer matrix composites (PMCs) have several advantages for cryogenic storage tanks. They are lightweight, strong, and stiff; therefore, a smaller fraction of a vehicle's potential payload capacity is used for propellant storage. Unfortunately, the resins typically used to make PMC tanks have higher gas permeability than metals. This can lead to hydrogen loss through the body of the tank instead of just at welds and fittings. One approach to eliminate this problem is to build composite tanks with thin metal liners. However, although these tanks provide good permeability performance, they suffer from a substantial mismatch in the coefficient of thermal expansion, which can lead to failure of the bond between the liner and the body of the tank. Both problems could be addressed with polymersilicate nanocomposites, which exhibit reduced hydrogen permeability, making them potential candidates for linerless PMC tanks. Through collaboration with Northrop Grumman and Michigan State University, nanocomposite test tanks were manufactured for the NASA Glenn Research Center, and the helium permeability was measured. An organically modified silicate was prepared at Michigan State University and dispersed in an epoxy matrix (EPON 826/JeffamineD230). The epoxy/silicate nanocomposites contained either 0 or 5 wt% of the organically modified silicate. The tanks were made by filament winding carbon fibers with the nanocomposite resin. Helium permeability

  3. Damage initiation, progression and failure of polymer matrix composites due to manufacturing induced defects

    NASA Astrophysics Data System (ADS)

    Chowdhury, Khairul Alam

    In polymer matrix composites (PMCs) manufacturing processes can induce defects, e.g., voids, fiber misalignment, irregular fiber distribution in the cross-section and broken fibers. The effects of such defects can be beneficial or deleterious depending on whether they cause failure suppression or enhancement by localized deformation processes e.g., crazing, shear yielding and fiber-matrix debonding. In this study, a computational approach is formulated and implemented to develop solutions for general boundary-value problems for PMC microstructures that accounts for micromechanics-based constitutive relations including fine scale mechanisms of material failure. The defects considered are voids, and the microstructure is explicitly represented by a distribution of fibers and voids embedded in a polymer matrix. Fiber is modeled as a linearly elastic material while the polymer matrix is modeled as an elastic-viscoplastic material. Two distinct models for the matrix behavior are implemented: (i) Drucker-Prager type Bodner model that accounts for rate and pressure-sensitivity, and (ii) improved macromolecular constitutive model that also accounts for temperature dependence, small-strain softening and large-strain hardening. Damage is simulated by the Gearing-Anand craze model as a reference model and by a new micromechanical craze model, developed to account for craze initiation, growth and breakdown. Critical dilatational energy density criterion is utilized to predict fiber-matrix debonding through cavitation induced matrix cracking. An extensive parametric study is conducted in which the roles of void shape, size and distribution relative to fiber in determining damage initiation and evolution are investigated under imposed temperature and strain rate conditions. Results show there are significant effects of voids on microstructural damage as well as on the overall deformational and failure response of composites.

  4. Pseudobrush theory of amorphous interphase in semicrystalline polymers.

    NASA Astrophysics Data System (ADS)

    Milner, Scott

    2009-03-01

    The conformation of polymer chains emerging from the face of a crystalline lamella has long been a matter of dispute. Long ago, arguments pitted ``adjacent reentry'' versus the ``switchboard model'' as extreme limits of possible behavior. Later, two theoretical approaches were attempted, but one (the Gambler's Ruin model) did not properly account for the constraint of melt density, and the other (heuristic configuration counting of Flory et al.) did not account for chain connectivity. These shortcomings are resolved by a new ``pseudobrush'' theory of the amorphous interphase, which represents the reentrant chains as a polydisperse brush of loops in a self-consistent hydrostatic pressure field. This theory predicts the fraction of adjacent reentry, shows how the anisotropy of the interphase dies away with distance, and how the Gambler's Ruin model is recovered far from the interface. Extension to the case of a finite slab between two crystal-melt interfaces predicts the frequency of tie chains, a key parameter for nonlinear deformation and ductile failure of semicrystalline polymers.

  5. Flory-Huggins theory for athermal mixtures of hard spheres and larger flexible polymers.

    PubMed

    Sear, Richard P

    2002-11-01

    A simple analytic theory for mixtures of hard spheres and larger polymers with excluded volume interactions is developed. The mixture is shown to exhibit extensive immiscibility. For large polymers with strong excluded volume interactions, the density of monomers at the critical point for demixing decreases as one over the square root of the length of the polymer, while the density of spheres tends to a constant. This is very different from the behavior of mixtures of hard spheres and ideal polymers, these mixtures, although even less miscible than those with polymers with excluded volume interactions, have a much higher polymer density at the critical point of demixing. The theory applies to the complete range of mixtures of spheres with flexible polymers, from those with strong excluded volume interactions to ideal polymers.

  6. Analytic liquid-state theory of the interactions between colloids mediated by reversibly adsorbed polymers.

    PubMed

    Chervanyov, A I

    2014-12-28

    We develop an analytic liquid-state theory of the effective interactions induced by reversibly adsorbing polymers, acting between colloids immersed in a polymer melt. This theory is based on the polymer reference interaction site model that has no restrictions with respect to the density of the polymer system and colloid-to-polymer size ratio. By making use of the developed theory, we calculate the potential of the polymer mediated interactions as a function of the colloid radius, strength and range of the adsorption potential, and the polymer density. In addition, we investigate the behavior of the second virial coefficient as a function of the polymer density in both the colloid and nano-particle limits. We found out that the presence of the adsorption interactions significantly changes the polymer mediated forces relative to the case of the pure entropic depletion interactions, showing most pronounced difference in the case of large polymer densities and small colloid-to-polymer size ratios. The significance of the above differences is determined by the relation between the range of the adsorption potential and polymer correlation length.

  7. Analytic liquid-state theory of the interactions between colloids mediated by reversibly adsorbed polymers

    NASA Astrophysics Data System (ADS)

    Chervanyov, A. I.

    2014-12-01

    We develop an analytic liquid-state theory of the effective interactions induced by reversibly adsorbing polymers, acting between colloids immersed in a polymer melt. This theory is based on the polymer reference interaction site model that has no restrictions with respect to the density of the polymer system and colloid-to-polymer size ratio. By making use of the developed theory, we calculate the potential of the polymer mediated interactions as a function of the colloid radius, strength and range of the adsorption potential, and the polymer density. In addition, we investigate the behavior of the second virial coefficient as a function of the polymer density in both the colloid and nano-particle limits. We found out that the presence of the adsorption interactions significantly changes the polymer mediated forces relative to the case of the pure entropic depletion interactions, showing most pronounced difference in the case of large polymer densities and small colloid-to-polymer size ratios. The significance of the above differences is determined by the relation between the range of the adsorption potential and polymer correlation length.

  8. LOW-COST COMPOSITES IN VEHICLE MANUFACTURE - Natural-fiber-reinforced polymer composites in automotive applications.

    SciTech Connect

    Holbery, Jim; Houston, Dan

    2006-11-01

    In the last decade, natural fiber composites have experienced rapid growth in the European automotive market, and this trend appears to be global in scale, provided the cost and performance is justified against competing technologies. However, mass reduction, recyclability, and performance requirements can be met today by competing systems such as injection-molded unreinforced thermoplastics; natural fiber composites will continue to expand their role in automotive applications only if such technical challenges as moisture stability, fiber-polymer interface compatibility, and consistent, repeatable fiber sources are available to supply automotive manufacturers. Efforts underway by Tier I and II automotive suppliers to explore hybrid glass-natural fiber systems, as well as applications that exploit such capabilities as natural fiber sound dampening characteristics, could very well have far-reaching effects. In addition, the current development underway of bio-based resins such as Polyhydroxyalkanoate (PHA) biodegradable polyesters and bio-based polyols could provide fully bio-based composite options to future automotive designers. In short, the development of the natural fiber composite market would make a positive impact on farmers and small business owners on a global scale, reduce US reliance on foreign oil, improve environmental quality through the development of a sustainable resource supply chain, and achieve a better CO2 balance over the vehicle?s lifetime with near-zero net greenhouse gas emissions.

  9. Analytic PRISM theory of structurally asymmetric polymer blends and copolymers

    SciTech Connect

    Schweizer, K.S. )

    1993-10-25

    Analytic PRISM theory with the new molecular closures is applied to determine the effective chi-parameters and spinodal instability curves for structurally asymmetric polymer alloys. Compressibility effects are found to be very important, and the use of a literal incompressible RPA-like approximation is shown to incur qualitative errors in most cases. A rich and nonadditive dependence of phase transition temperatures and apparent SANS chi-parameters on backbone stiffness asymmetry, attractive interaction potential asymmetry, and thermodynamic variables is found for binary homopolymer blends. A novel strategy for designing miscible mixtures based on a cancellation, or compensation, of the relevant asymmetries is identified. The influence of chain stiffness asymmetry in blends characterized by specific interactions is also studied. Generalization of the analytic PRISM theory to mixtures of random copolymers and periodic block copolymer melts is presented. All the rich behavior predicted for phase-separating homopolymer mixtures is again found for these systems, plus additional non mean field effects associated with random copolymer composition and block architecture. The theory is applied semiquantitatively to interpret recent experiments on polyolefin blends, diblock copolymers, and random copolymer alloys. Theoretical predictions are made which qualitatively account for recent experimental observations of a strong influence of stiffness asymmetry on phase separation temperatures, and the breakdown of the mean field random copolymer approach. Anomalous behavior is also predicted for deuterated mixtures due to an interference between the consequences of stiffness asymmetry and enthalipic interactions. The physical mechanism for the many non-Flory-Huggins effects predicted by the compressible PRISM theory is local, scalar density correlations, which appears to be different than the nematic fluctuation mechanism suggested by recent field theoretic work.

  10. Polymer degradation and drug delivery in PLGA-based drug-polymer applications: A review of experiments and theories.

    PubMed

    Xu, Yihan; Kim, Chang-Soo; Saylor, David M; Koo, Donghun

    2017-08-01

    Poly (lactic-co-glycolic acid) (PLGA) copolymers have been broadly used in controlled drug release applications. Because these polymers are biodegradable, they provide an attractive option for drug delivery vehicles. There are a variety of material, processing, and physiological factors that impact the degradation rates of PLGA polymers and concurrent drug release kinetics. This work is intended to provide a comprehensive and collective review of the physicochemical and physiological factors that dictate the degradation behavior of PLGA polymers and drug release from contemporary PLGA-based drug-polymer products. In conjunction with the existing experimental results, analytical and numerical theories developed to predict drug release from PLGA-based polymers are summarized and correlated with the experimental observations. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1692-1716, 2017. © 2016 Wiley Periodicals, Inc.

  11. Using theory and simulation to link molecular features of nanoscale fillers to morphology in polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Jayaraman, Arthi; Martin, Tyler

    2014-03-01

    Polymer nanocomposites are a class of materials that consist of a polymer matrix embedded with nanoscale fillers or additives that enhance the inherent properties of the matrix polymer. To engineer polymer nanocomposites for specific applications with target macroscopic properties (e.g. photovoltaics, photonics, automobile parts) it is important to have design rules that relate molecular features to equilibrium morphology of the composite. In the first part of the talk I will present our recent theory and simulation work on composites containing polymer grafted nanoparticles, showing how polydispersity in graft and matrix polymers (physical heterogeneity) can be used to stabilize dispersion of the nanoparticles within a polymer matrix. In the second part of the talk I will present our recent work linking block-copolymer functionalization to the nanoparticle location in a polymer matrix consisting of homopolymer blends.

  12. Theory of optical transitions in conjugated polymers. I. Ideal systems

    SciTech Connect

    Barford, William; Marcus, Max

    2014-10-28

    We describe a theory of linear optical transitions in conjugated polymers. The theory is based on three assumptions. The first is that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω ≪ J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. Using these assumptions we derive an expression for an effective Huang-Rhys parameter for a chain (or chromophore) of N monomers, given by S(N) = S(1)/IPR, where S(1) is the Huang-Rhys parameter for an isolated monomer. IPR is the inverse participation ratio, defined by IPR = (∑{sub n}|Ψ{sub n}|{sup 4}){sup −1}, where Ψ{sub n} is the exciton center-of-mass wavefunction. Since the IPR is proportional to the spread of the exciton center-of-mass wavefunction, this is a key result, as it shows that S(N) decreases with chain length. As in molecules, in a polymer S(N) has two interpretations. First, ℏωS(N) is the relaxation energy of an excited state caused by its coupling to the normal modes. Second, S(N) appears in the definition of an effective Franck-Condon factor, F{sub 0v}(N) = S(N){sup v}exp ( − S(N))/v! for the vth vibronic manifold. We show that the 0 − 0 and 0 − 1 optical intensities are proportional to F{sub 00}(N) and F{sub 01}(N), respectively, and thus the ratio of the 0 − 1 to 0 − 0 absorption and emission intensities are proportional to S(N). These analytical results are checked by extensive DMRG calculations and found to be generally valid, particularly for emission. However, for large chain lengths higher-lying quasimomentum exciton states become degenerate with the lowest vibrational excitation of the

  13. Additive Manufacturing of a Photo-Cross-Linkable Polymer via Direct Melt Electrospinning Writing for Producing High Strength Structures.

    PubMed

    Chen, Fei; Hochleitner, Gernot; Woodfield, Tim; Groll, Juergen; Dalton, Paul D; Amsden, Brian G

    2016-01-11

    Melt electrospinning writing (MEW) is an emerging additive manufacturing technique that enables the design and fabrication of micrometer-thin fibrous scaffolds made of biocompatible and biodegradable polymers. By using a computer-aided deposition process, a unique control over pore size and interconnectivity of the resulting scaffolds is achieved, features highly interesting for tissue engineering applications. However, MEW has been mainly used to process low melting point thermoplastics such as poly(ε-caprolactone). Since this polymer exhibits creep and a reduction in modulus upon hydration, we manufactured scaffolds of poly(L-lactide-co-ε-caprolactone-co-acryloyl carbonate) (poly(LLA-ε-CL-AC)), a photo-cross-linkable and biodegradable polymer, for the first time. We show that the stiffness of the scaffolds increases significantly (up to ∼10-fold) after cross-linking by UV irradiation at room temperature, compared with un-cross-linked microfiber scaffolds. The preservation of stiffness and high average fiber modulus (370 ± 166 MPa) within the cross-linked hydrated scaffolds upon repetitive loading (10% strain at 1 Hz up to 200,000 cycles) suggests that the prepared scaffolds may be of potential interest for soft connective tissue engineering applications. Moreover, the approach can be readily adapted through manipulation of polymer properties and scaffold geometry to prepare structures with mechanical properties suitable for other tissue engineering applications.

  14. Polymer brushes in cylindrical pores: Simulation versus scaling theory

    NASA Astrophysics Data System (ADS)

    Dimitrov, D. I.; Milchev, A.; Binder, K.

    2006-07-01

    The structure of flexible polymers endgrafted in cylindrical pores of diameter D is studied as a function of chain length N and grafting density σ, assuming good solvent conditions. A phenomenological scaling theory, describing the variation of the linear dimensions of the chains with σ, is developed and tested by molecular dynamics simulations of a bead-spring model. Different regimes are identified, depending on the ratio of D to the size of a free polymer N3/5. For D >N3/5 a crossover occurs for σ =σ*=N-6/5 from the "mushroom" behavior (Rgx=Rgy=Rgz=N3/5) to the behavior of a flat brush (Rgz=σ1/3N,Rgx=Rgy=σ-1/12N1/2), until at σ**=(D /N)3 a crossover to a compressed state of the brush, [Rgz=D,Rgx=Rgy=(N3D /4σ)1/8theories is given. In particular, it is shown that for large D the brush height is an increasing function of D-1.

  15. Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints.

    PubMed

    Woodward, Clifford E; Forsman, Jan

    2008-08-07

    We present a new density functional theory of ideal polymer fluids, assuming nearest-neighbor bonding constraints. The free energy functional is expressed in terms of end site densities of chain segments and thus has a simpler mathematical structure than previously used expressions using multipoint distributions. This work is based on a formalism proposed by Tripathi and Chapman [Phys. Rev. Lett. 94, 087801 (2005)]. Those authors obtain an approximate free energy functional for ideal polymers in terms of monomer site densities. Calculations on both repulsive and attractive surfaces show that their theory is reasonably accurate in some cases, but does differ significantly from the exact result for longer polymers with attractive surfaces. We suggest that segment end site densities, rather than monomer site densities, are the preferred choice of "site functions" for expressing the free energy functional of polymer fluids. We illustrate the application of our theory to derive an expression for the free energy of an ideal fluid of infinitely long polymers.

  16. Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints

    NASA Astrophysics Data System (ADS)

    Woodward, Clifford E.; Forsman, Jan

    2008-08-01

    We present a new density functional theory of ideal polymer fluids, assuming nearest-neighbor bonding constraints. The free energy functional is expressed in terms of end site densities of chain segments and thus has a simpler mathematical structure than previously used expressions using multipoint distributions. This work is based on a formalism proposed by Tripathi and Chapman [Phys. Rev. Lett. 94, 087801 (2005)]. Those authors obtain an approximate free energy functional for ideal polymers in terms of monomer site densities. Calculations on both repulsive and attractive surfaces show that their theory is reasonably accurate in some cases, but does differ significantly from the exact result for longer polymers with attractive surfaces. We suggest that segment end site densities, rather than monomer site densities, are the preferred choice of ``site functions'' for expressing the free energy functional of polymer fluids. We illustrate the application of our theory to derive an expression for the free energy of an ideal fluid of infinitely long polymers.

  17. A Fully Nonmetallic Gas Turbine Engine Enabled by Additive Manufacturing, Part II: Additive Manufacturing and Characterization of Polymer Composites

    NASA Technical Reports Server (NTRS)

    Chuang, Kathy C.; Grady, Joseph E.; Arnold, Steven M.; Draper, Robert D.; Shin, Eugene; Patterson, Clark; Santelle, Tom; Lao, Chao; Rhein, Morgan; Mehl, Jeremy

    2015-01-01

    This publication is the second part of the three part report of the project entitled "A Fully Nonmetallic Gas Turbine Engine Enabled by Additive Manufacturing" funded by NASA Aeronautics Research Institute (NARI). The objective of this project was to conduct additive manufacturing to produce aircraft engine components by Fused Deposition Modeling (FDM), using commercially available polyetherimides-Ultem 9085 and experimental Ultem 1000 mixed with 10% chopped carbon fiber. A property comparison between FDM-printed and injection molded coupons for Ultem 9085, Ultem 1000 resin and the fiber-filled composite Ultem 1000 was carried out. Furthermore, an acoustic liner was printed from Ultem 9085 simulating conventional honeycomb structured liners and tested in a wind tunnel. Composite compressor inlet guide vanes were also printed using fiber-filled Ultem 1000 filaments and tested in a cascade rig. The fiber-filled Ultem 1000 filaments and composite vanes were characterized by scanning electron microscope (SEM) and acid digestion to determine the porosity of FDM-printed articles which ranged from 25 to 31%. Coupons of Ultem 9085, experimental Ultem 1000 composites and XH6050 resin were tested at room temperature and 400F to evaluate their corresponding mechanical properties. A preliminary modeling was also initiated to predict the mechanical properties of FDM-printed Ultem 9085 coupons in relation to varied raster angles and void contents, using the GRC-developed MAC/GMC program.

  18. Manufacturing, structure and properties of recycled polyethylene terephthalate /liquid crystal polymer/montmorillonite clay nanocomposites

    NASA Astrophysics Data System (ADS)

    Japins, Guntis; Berzina, Rita; Zicans, Janis; Merijs Meri, Remo; Ivanova, Tatjana; Kalkis, Valdis; Reinholds, Ingars

    2013-12-01

    Polyethylene terephthalate (PET)/liquid crystal polymer (LCP)/monthmorillonite clay (MMT) compositions were obtained by melt mixing. Their mechanical, structural, rheological and thermal properties were investigated.

  19. Dynamic bottleneck elimination in mattress manufacturing line using theory of constraints.

    PubMed

    Gundogar, Emin; Sari, Murat; Kokcam, Abdullah H

    2016-01-01

    There is a tough competition in the furniture sector like other sectors. Along with the varying product range, production system should also be renewed on a regular basis and the production costs should be kept under control. In this study, spring mattress manufacturing line of a furniture manufacturing company is analyzed. The company wants to increase its production output with new investments. The objective is to find the bottlenecks in production line in order to balance the semi-finished material flow. These bottlenecks are investigated and several different scenarios are tested to improve the current manufacturing system. The problem with a main theme based on the elimination of the bottleneck is solved using Goldratt and Cox's theory of constraints with a simulation based heuristic method. Near optimal alternatives are determined by system models built in Arena 13.5 simulation software. Results show that approximately 46 % capacity enhancements with 2 buffer stocks have increased average production by 88.8 %.

  20. Polymer deformation in Brownian ratchets: theory and molecular dynamics simulations.

    PubMed

    Kenward, Martin; Slater, Gary W

    2008-11-01

    We examine polymers in the presence of an applied asymmetric sawtooth (ratchet) potential which is periodically switched on and off, using molecular dynamics (MD) simulations with an explicit Lennard-Jones solvent. We show that the distribution of the center of mass for a polymer in a ratchet is relatively wide for potential well depths U0 on the order of several kBT. The application of the ratchet potential also deforms the polymer chains. With increasing U0 the Flory exponent varies from that for a free three-dimensional (3D) chain, nu=35 (U0=0), to that corresponding to a 2D compressed (pancake-shaped) polymer with a value of nu=34 for moderate U0. This has the added effect of decreasing a polymer's diffusion coefficient from its 3D value D3D to that of a pancaked-shaped polymer moving parallel to its minor axis D2D. The result is that a polymer then has a time-dependent diffusion coefficient D(t) during the ratchet off time. We further show that this suggests a different method to operate a ratchet, where the off time of the ratchet, toff, is defined in terms of the relaxation time of the polymer, tauR. We also derive a modified version of the Bader ratchet model [Bader, Proc. Natl. Acad. Sci. U.S.A. 96, 13165 (1999)] which accounts for this deformation and we present a simple expression to describe the time dependent diffusion coefficient D(t). Using this model we then illustrate that polymer deformation can be used to modulate polymer migration in a ratchet potential.

  1. Heat transport in polymer thin films for micro/nano-manufacturing

    NASA Astrophysics Data System (ADS)

    Hung, Ming-Tsung

    The rapid growth in micro/nanotechnology has opened a great opportunity for polymer thin films and polymer nanocomposites. Thermal management or thermal effects in those applications need to be carefully examined. For example, the local heating in electron-beam lithography, emersion lithography, and scanning near field optical lithography may cause the degradation of photoresists and reduce the resolution. The development of many organic electronics, polymer micro-electro-mechanical-systems (MEMS) devices, and polymer nanocomposites may require the knowledge of heat transport in micro/nano-sized polymers. Thermolithography, a novel lithography, uses controlled localized heating to transfer patterns and requires the thermal conductivity data to control. It is of considerable scientific and technological interests for study heat transport in polymer thin films. Unlike bulk polymers that can be measured using commercially available instruments, polymer thin films are difficult to measure. In this manuscript, we develop the measurement techniques suitable for measuring thermal conductivity of polymer thin films and polymer nanocomposites. Using a microfabricated membrane-based device, we study the heat conduction in photoresists at difference process stages. This data is used in our thermolithography study, where we use microheater to study the kinetic of crosslinking reaction of photoresist. The feasibility of thermolithography and potential three dimensional micro/nano-fabrication is presented. The uniqueness of thermolithography is also demonstrated by patterning amorphous fluoropolymers. A modified hot-wire technique is used to measure the thermal conductivity of graphite nanoplatelet (GNP) reinforced nanocomposites, one of the promising candidates for multifunctional materials. Thermal interface resistance in GNP nanocomposites is investigated, which shows a strong effect on energy transport in the nanocomposites and can be diminished through surface treatment.

  2. Lattice density functional for colloid-polymer mixtures: Comparison of two fundamental measure theories

    NASA Astrophysics Data System (ADS)

    Cuesta, José A.; Lafuente, Luis; Schmidt, Matthias

    2005-09-01

    We consider a binary mixture of colloid and polymer particles with positions on a simple cubic lattice. Colloids exclude both colloids and polymers from nearest neighbor sites. Polymers are treated as effective particles that are mutually noninteracting, but exclude colloids from neighboring sites; this is a discrete version of the (continuum) Asakura-Oosawa-Vrij model. Two alternative density functionals are proposed and compared in detail. The first is based on multioccupancy in the zero-dimensional limit of the bare model, analogous to the corresponding continuum theory that reproduces the bulk fluid free energy of free volume theory. The second is based on mapping the polymers onto a multicomponent mixture of polymer clusters that are shown to behave as hard cores; the corresponding property of the extended model in strong confinement permits direct treatment with lattice fundamental measure theory. Both theories predict the same topology for the phase diagram with a continuous fluid-fcc freezing transition at low polymer fugacity and, upon crossing a tricritical point, a first-order freezing transition for high polymer fugacities with rapidly broadening density jump.

  3. Validity of the scaling functional approach for polymer interfaces as a variational theory

    NASA Astrophysics Data System (ADS)

    Manghi, Manoel; Aubouy, Miguel

    2003-10-01

    We discuss the soundness of the scaling functional (SF) approach proposed by Aubouy Guiselin and Raphaël [Macromolecules 29, 7261 (1996)] to describe polymeric interfaces. In particular, we demonstrate that this approach is a variational theory. We emphasize the role of SF theory as an important link between ground-state theories suitable to describe adsorbed layers, and “classical” theories for polymer brushes.

  4. On the simulation and theory of polymer dynamics in sieving media: Friction, molecular pulleys, Brownian ratchets and polymer scission

    NASA Astrophysics Data System (ADS)

    Kenward, Martin

    the middle of the molecules. In chapter 3 we use some of the concepts and results from chapters 1 and 2 to explore the problem of a polymer chain migrating under the influence of an external force (or fluid flow) through a molecular obstacle course. These polymers collide with either fixed obstacles (or other polymers) and can be trapped in meta-stable long-lived, pulley-like conformations. This method can be used to separate polymers by molecular weight. We use both MD simulations and a general classical theory for the collisions to explore several different collision regimes. We also show that a classic experimental result, the formation of so-called V-shaped states, can occur in single polymer collision events, contrary to the popular assumption that it was necessary for a polymer to collide with multiple polymers. In chapter 4 we build on the results and ideas from the first three chapters and examine another phenomenon related to polymer transport, that of (Brownian) ratchets. A ratchet is essentially a method to rectify the thermal noise in a system in order to perform work, for example, to generate net transport. We use our MD simulations to examine the behaviour of polymers in the presence of an asymmetric saw tooth ratchet potential. We also show that existing ratchet models, where the ratchet widths are on the order of a polymer gyration radius, neglect an important effect of chain relaxation and thus underestimate optimal operating parameters. We propose and derive equations illustrating a new operational mode for a ratchet which inherently uses the deformation of polymer chains induced by the application of a ratcheting potential. We present a simple mathematical expression to incorporate time-dependent diffusion coefficients D (t) into ratchets. The final chapter presents work done in collaboration with Annelise Barron's group at Northwestern University and examines the breaking of polymer chains in extensional flow fields as a method to systematically

  5. Nanoporous thin-film membranes from block-polymers : using self-consistent field theory calculations to guide polymer synthesis.

    SciTech Connect

    Cordaro, Joseph Gabriel

    2010-12-01

    The controlled self-assembly of polymer thin-films into ordered domains has attracted significant academic and industrial interest. Most work has focused on controlling domain size and morphology through modification of the polymer block-lengths, n, and the Flory-Huggins interaction parameter, {chi}. Models, such as Self-Consistent Field Theory (SCFT), have been successful in describing the experimentally observed morphology of phase-separated polymers. We have developed a computational method which uses SCFT calculations as a predictive tool in order to guide our polymer synthesis. Armed with this capability, we have the ability to select {chi} and then search for an ideal value of n such that a desired morphology is the most thermodynamically favorable. This approach enables us to synthesize new block-polymers with the exactly segment lengths that will undergo self-assembly to the desired morphology. As proof-of-principle we have used our model to predict the gyroidal domain for various block lengths using a fixed {chi} value. To validate our computational model, we have synthesized a series of block-copolymers in which only the total molecular length changes. All of these materials have a predicted thermodynamically favorable gyroidal morphology based on the results of our SCFT calculations. Thin-films of these polymers are cast and annealed in order to equilibrate the structure. Final characterization of the polymer thin-film morphology has been performed. The accuracy of our calculations compared to experimental results is discussed. Extension of this predictive ability to tri-block polymer systems and the implications to making functionalizable nanoporous membranes will be discussed.

  6. Rheology of cross-linked polymers and polymer foams: Theory and experimental results

    NASA Astrophysics Data System (ADS)

    Herman, John N.

    Typical polymers have a time-dependent response to loading which results in stress relaxation or creep. Models using springs/dashpots or Volterra integrals are capable of predicting the material response, but place little or no emphasis on the reasoning behind the response. This research proposes a microscopic reasoning behind polymer chain movement, while developing a model to predict the creep and stress relaxation of a polymer foam. Based on the theorized slip/stick of polymer chains as they slide past each other, this model successfully predicts the behavior of a PMI polymer foam under tensile loads. This model lends insights into polymer microscopic behavior, which may be used for the development of future polymer materials. When possible, industry standard test methods are used to obtain tensile creep and stress relaxation results from rectangular specimens of Rohacell 31 IG foam. A common set of material parameters is fitted to the data, validating the micromechanic reasoning to polymer chain movement. To gain insight into observed test result variability, an investigation of the elastic modulus and material density relationship is performed using nominal foam densities of 31 kg/m3, 51 kg/m3,, 71 kg/m3. Additional testing and modeling is performed to validate the model under load/partial-unload/ hold, load/unload/recovery, and load/instantaneous-unload test cycles. The model successfully captures the observed material nuances during these more complex loading cycles.

  7. Communication: The simplified generalized entropy theory of glass-formation in polymer melts

    SciTech Connect

    Freed, Karl F.

    2015-08-07

    While a wide range of non-trivial predictions of the generalized entropy theory (GET) of glass-formation in polymer melts agree with a large number of observed universal and non-universal properties of these glass-formers and even for the dependence of these properties on monomer molecular structure, the huge mathematical complexity of the theory precludes its extension to describe, for instance, the perplexing, complex behavior observed for technologically important polymer films with thickness below ∼100 nm and for which a fundamental molecular theory is lacking for the structural relaxation. The present communication describes a hugely simplified version of the theory, called the simplified generalized entropy theory (SGET) that provides one component necessary for devising a theory for the structural relaxation of thin polymer films and thereby supplements the first required ingredient, the recently developed Flory-Huggins level theory for the thermodynamic properties of thin polymer films, before the concluding third step of combining all the components into the SGET for thin polymer films. Comparisons between the predictions of the SGET and the full GET for the four characteristic temperatures of glass-formation provide good agreement for a highly non-trivial model system of polymer melts with chains of the structure of poly(n-α olefins) systems where the GET has produced good agreement with experiment. The comparisons consider values of the relative backbone and side group stiffnesses such that the glass transition temperature decreases as the amount of excess free volume diminishes, contrary to general expectations but in accord with observations for poly(n-alkyl methacrylates). Moreover, the SGET is sufficiently concise to enable its discussion in a standard course on statistical mechanics or polymer physics.

  8. Communication: The simplified generalized entropy theory of glass-formation in polymer melts.

    PubMed

    Freed, Karl F

    2015-08-07

    While a wide range of non-trivial predictions of the generalized entropy theory (GET) of glass-formation in polymer melts agree with a large number of observed universal and non-universal properties of these glass-formers and even for the dependence of these properties on monomer molecular structure, the huge mathematical complexity of the theory precludes its extension to describe, for instance, the perplexing, complex behavior observed for technologically important polymer films with thickness below ∼100 nm and for which a fundamental molecular theory is lacking for the structural relaxation. The present communication describes a hugely simplified version of the theory, called the simplified generalized entropy theory (SGET) that provides one component necessary for devising a theory for the structural relaxation of thin polymer films and thereby supplements the first required ingredient, the recently developed Flory-Huggins level theory for the thermodynamic properties of thin polymer films, before the concluding third step of combining all the components into the SGET for thin polymer films. Comparisons between the predictions of the SGET and the full GET for the four characteristic temperatures of glass-formation provide good agreement for a highly non-trivial model system of polymer melts with chains of the structure of poly(n-α olefins) systems where the GET has produced good agreement with experiment. The comparisons consider values of the relative backbone and side group stiffnesses such that the glass transition temperature decreases as the amount of excess free volume diminishes, contrary to general expectations but in accord with observations for poly(n-alkyl methacrylates). Moreover, the SGET is sufficiently concise to enable its discussion in a standard course on statistical mechanics or polymer physics.

  9. A thermodynamic theory for characterizing thermo-mechanical response of polymers during crystallization

    SciTech Connect

    Negahban, M.

    1995-12-31

    A thermodynamic theory will be presented to capture the thermo-mechanical characteristics associated with crystallization of polymers. The basic characteristics associated with crystallization consists of (a) crystallization in polymers is considered a gradual transition from an amorphous polymer to a semi-crystalline polymer, (b) there is a volume reduction associated with crystallization as the material moves to the denser morphology of the crystal structure, (c) there is a substantial stiffening of the polymer, (d) there is stress relaxation associated with crystallization for polymers under a constant stretch, (e) there is creep associated with crystallization in polymers under a fixed load. These and other characteristics are modeled in a multi-dimensional thermodynamic theory. As a first example, the simplest possible constitutive assumptions are studied in relation to characterizing the behavior of natural rubber. Natural rubber is selected due to the abundance of information on its thermo-mechanical behavior. This work is an extension to non-isothermal thermodynamic processes of previous work on characterizing the mechanical effects of polymer crystallization under isothermal conditions.

  10. Density field theory approach to design multi-template imprinted polymers for carcinogenic PAHs sensing.

    PubMed

    Khan, Muntazir S; Krupadam, Reddithota J

    2013-11-01

    Molecular imprinting is an interesting technique for preparation of molecular recognition materials with discriminating similar molecules from complex systems. In particular, imprinting more than one molecule has immense application in remediation of industrial waste. Major difficulty in molecular imprinting is the selection of suitable polymer precursors. In this article, authors have proposed a new computational approach for combinatorial screening of polymer precursor library to select appropriate polymer precursors to prepare imprinted polymer capable of selectively binding carcinogenic polycyclic aromatic hydrocarbons (PAHs). Molecular Dynamics (MD) and Quantum Mechanics (QM) models were used to compute interaction energy scores between polymer precursors and PAHs in a simulated solvent box. A self-designed virtual library of functional monomers has been prepared, and then used for MD simulations to screen the best functional monomers. Initially, molecules used in the study were geometrically optimized and then interaction energies were computed using density functional theory (DFT) in Becke 3-Parameter Exchange Correlation Function (B3LYP) level with 6-31G*basis set on Gaussian 4.1 Ver. software. Complimentary to theoretical predictions, selected polymers were prepared in laboratory and compared theoretically computed binding score with the binding capacity of the polymer on spectrofluorimetry. The computer simulations used in this research paper are rapid and reliable for the combinatorial screening of polymer precursors in experimental-free way to design of multi-template imprinted polymers.

  11. Manufacturing a Porous Structure According to the Process Parameters of Functional 3D Porous Polymer Printing Technology Based on a Chemical Blowing Agent

    NASA Astrophysics Data System (ADS)

    Yoo, C. J.; Shin, B. S.; Kang, B. S.; Yun, D. H.; You, D. B.; Hong, S. M.

    2017-09-01

    In this paper, we propose a new porous polymer printing technology based on CBA(chemical blowing agent), and describe the optimization process according to the process parameters. By mixing polypropylene (PP) and CBA, a hybrid CBA filament was manufactured; the diameter of the filament ranged between 1.60 mm and 1.75 mm. A porous polymer structure was manufactured based on the traditional fused deposition modelling (FDM) method. The process parameters of the three-dimensional (3D) porous polymer printing (PPP) process included nozzle temperature, printing speed, and CBA density. Porosity increase with an increase in nozzle temperature and CBA density. On the contrary, porosity increase with a decrease in the printing speed. For porous structures, it has excellent mechanical properties. We manufactured a simple shape in 3D using 3D PPP technology. In the future, we will study the excellent mechanical properties of 3D PPP technology and apply them to various safety fields.

  12. Inhibition of Pulmonary Surfactant Adsorption by Serum and the Mechanisms of Reversal by Hydrophilic Polymers: Theory

    PubMed Central

    Zasadzinski, Joseph A.; Alig, T. F.; Alonso, Coralie; de la Serna, Jorge Bernardino; Perez-Gil, Jesus; Taeusch, H. William

    2005-01-01

    A theory based on the Smolukowski analysis of colloid stability shows that the presence of charged, surface-active serum proteins at the alveolar air-liquid interface can severely reduce or eliminate the adsorption of lung surfactant from the subphase to the interface, consistent with the observations reported in the companion article (pages 1769–1779). Adding nonadsorbing, hydrophilic polymers to the subphase provides a depletion attraction between the surfactant aggregates and the interface, which can overcome the steric and electrostatic resistance to adsorption induced by serum. The depletion force increases with polymer concentration as well as with polymer molecular weight. Increasing the surfactant concentration has a much smaller effect than adding polymer, as is observed. Natural hydrophilic polymers, like the SP-A present in native surfactant, or hyaluronan, normally present in the alveolar fluids, can enhance adsorption in the presence of serum to eliminate inactivation. PMID:16006630

  13. Inhibition of pulmonary surfactant adsorption by serum and the mechanisms of reversal by hydrophilic polymers: theory.

    PubMed

    Zasadzinski, Joseph A; Alig, T F; Alonso, Coralie; Bernardino de la Serna, Jorge; Perez-Gil, Jesus; Taeusch, H William

    2005-09-01

    A theory based on the Smolukowski analysis of colloid stability shows that the presence of charged, surface-active serum proteins at the alveolar air-liquid interface can severely reduce or eliminate the adsorption of lung surfactant from the subphase to the interface, consistent with the observations reported in the companion article (pages 1769-1779). Adding nonadsorbing, hydrophilic polymers to the subphase provides a depletion attraction between the surfactant aggregates and the interface, which can overcome the steric and electrostatic resistance to adsorption induced by serum. The depletion force increases with polymer concentration as well as with polymer molecular weight. Increasing the surfactant concentration has a much smaller effect than adding polymer, as is observed. Natural hydrophilic polymers, like the SP-A present in native surfactant, or hyaluronan, normally present in the alveolar fluids, can enhance adsorption in the presence of serum to eliminate inactivation.

  14. Density functional theory and demixing of binary hard-rod-polymer mixtures.

    PubMed

    Bryk, P

    2003-12-01

    A density functional theory for a mixture of hard rods and polymers modeled as chains built of hard tangent spheres is proposed by combining the functional due to Yu and Wu for the polymer mixtures [J. Chem. Phys. 117, 2368 (2002)] with Schmidt's functional [Phys. Rev. E 63, 50 201 (2001)] for rod-sphere mixtures. As a simple application of the functional, the demixing transition into polymer-rich and rod-rich phases is examined. When the chain length increases, the phase boundary broadens and the critical packing fraction decreases. The shift of the critical point of a demixing transition is most noticeable for short chains.

  15. Analytical theory of polymer-network-mediated interaction between colloidal particles

    PubMed Central

    Di Michele, Lorenzo; Zaccone, Alessio; Eiser, Erika

    2012-01-01

    Nanostructured materials based on colloidal particles embedded in a polymer network are used in a variety of applications ranging from nanocomposite rubbers to organic-inorganic hybrid solar cells. Further, polymer-network-mediated colloidal interactions are highly relevant to biological studies whereby polymer hydrogels are commonly employed to probe the mechanical response of living cells, which can determine their biological function in physiological environments. The performance of nanomaterials crucially relies upon the spatial organization of the colloidal particles within the polymer network that depends, in turn, on the effective interactions between the particles in the medium. Existing models based on nonlocal equilibrium thermodynamics fail to clarify the nature of these interactions, precluding the way toward the rational design of polymer-composite materials. In this article, we present a predictive analytical theory of these interactions based on a coarse-grained model for polymer networks. We apply the theory to the case of colloids partially embedded in cross-linked polymer substrates and clarify the origin of attractive interactions recently observed experimentally. Monte Carlo simulation results that quantitatively confirm the theoretical predictions are also presented. PMID:22679289

  16. Additive manufacturing of polymer melts for implantable medical devices and scaffolds.

    PubMed

    Youssef, Almoatazbellah; Hollister, Scott J; Dalton, Paul D

    2017-02-28

    Melt processing is routinely used to fabricate medical polymeric devices/implants for clinical reconstruction and can be incorporated into quality systems procedures for medical device manufacture. As additive manufacturing (AM) becomes increasingly used for biomaterials and biofabrication, the translation of new, customizable, medical devices to the clinic becomes paramount. Melt processing is therefore a distinguishable group within AM that provides an avenue to manufacture scaffolds/implants with a clinical end-point. Three key melt processing AM technologies are highlighted in this review: melt micro-extrusion, selective laser sintering and melt electrospinning writing. The in vivo (including clinical) outcomes of medical devices and scaffolds made with these processes are reviewed. Together, they encompass the melt AM of scaffold architectures with feature sizes and resolutions ranging from 800 nm up to 700 μm.

  17. Macroscopic Surface Structures for Polymer-metal Hybrid Joints Manufactured by Laser Based Thermal Joining

    NASA Astrophysics Data System (ADS)

    Schricker, Klaus; Stambke, Martin; Bergmann, Jean Pierre; Bräutigam, Kevin; Henckell, Philipp

    The increasing application of hybrid structures in component design and fabrication allows to constantly enhance the realization of lightweight potentials. Laser-based joining of metals to polymers can obtaina local bonding with high load bearing capability. During the process, the polymer gets molten by the energy input of the laser beam and penetrates into the structure of the metal surface by means of a defined joining pressure. Macroscopic structures on the metal surface, produced by cutting or laser processing, are possible surface treatmentsfor achieving thepolymer-metal joints. The optimal geometry and other key parameters for the macroscopic surface structures are only partially known at present, e.g. a rising structure density causes a higher load capacity. Based on grooves and drilled holes, as referencegeometries, the depth (0.1-0.9 mm), width (0.3-1.1 mm), alignment angle, diameter (1.0mm- 1.5mm), structure density and penetration depth of the molten polymer were correlated to the separation force. The results allow an essential insight into the main effects ofmacroscopic structures on the mechanical joint properties and the material performance of the polymer during the process.

  18. Application of radiation-chemical technology to the manufacture of polymer-based materials and products

    SciTech Connect

    Ivanov, V.S.; Kalinina, N.A.; Migunova, I.I.

    1993-12-31

    This report describes research in the areas of: cross-linking of thermoplastics; curing of oligomer-monomer compositions for obtaining various compounds, and curing of adhesives for obtaining flockulated materials on a polymer support. The efficiency of the processes is stressed.

  19. Generalized entropy theory of glass-formation in fully flexible polymer melts

    NASA Astrophysics Data System (ADS)

    Xu, Wen-Sheng; Douglas, Jack F.; Freed, Karl F.

    2016-12-01

    The generalized entropy theory (GET) offers many insights into how molecular parameters influence polymer glass-formation. Given the fact that chain rigidity often plays a critical role in understanding the glass-formation of polymer materials, the GET was originally developed based on models of semiflexible chains. Consequently, all previous calculations within the GET considered polymers with some degree of chain rigidity. Motivated by unexpected results from computer simulations of fully flexible polymer melts concerning the dependence of thermodynamic and dynamic properties on the cohesive interaction strength (ɛ), the present paper employs the GET to explore the influence of ɛ on glass-formation in models of polymer melts with a vanishing bending rigidity, i.e., fully flexible polymer melts. In accord with simulations, the GET for fully flexible polymer melts predicts that basic dimensionless thermodynamic properties (such as the reduced thermal expansion coefficient and isothermal compressibility) are universal functions of the temperature scaled by ɛ in the regime of low pressures. Similar scaling behavior is also found for the configurational entropy density in the GET for fully flexible polymer melts. Moreover, we find that the characteristic temperatures of glass-formation increase linearly with ɛ and that the fragility is independent of ɛ in fully flexible polymer melts, predictions that are again consistent with simulations of glass-forming polymer melts composed of fully flexible chains. Beyond an explanation of these general trends observed in simulations, the GET for fully flexible polymer melts predicts the presence of a positive residual configurational entropy at low temperatures, indicating a return to Arrhenius relaxation in the low temperature glassy state.

  20. Generalized entropy theory of glass-formation in fully flexible polymer melts.

    PubMed

    Xu, Wen-Sheng; Douglas, Jack F; Freed, Karl F

    2016-12-21

    The generalized entropy theory (GET) offers many insights into how molecular parameters influence polymer glass-formation. Given the fact that chain rigidity often plays a critical role in understanding the glass-formation of polymer materials, the GET was originally developed based on models of semiflexible chains. Consequently, all previous calculations within the GET considered polymers with some degree of chain rigidity. Motivated by unexpected results from computer simulations of fully flexible polymer melts concerning the dependence of thermodynamic and dynamic properties on the cohesive interaction strength (ϵ), the present paper employs the GET to explore the influence of ϵ on glass-formation in models of polymer melts with a vanishing bending rigidity, i.e., fully flexible polymer melts. In accord with simulations, the GET for fully flexible polymer melts predicts that basic dimensionless thermodynamic properties (such as the reduced thermal expansion coefficient and isothermal compressibility) are universal functions of the temperature scaled by ϵ in the regime of low pressures. Similar scaling behavior is also found for the configurational entropy density in the GET for fully flexible polymer melts. Moreover, we find that the characteristic temperatures of glass-formation increase linearly with ϵ and that the fragility is independent of ϵ in fully flexible polymer melts, predictions that are again consistent with simulations of glass-forming polymer melts composed of fully flexible chains. Beyond an explanation of these general trends observed in simulations, the GET for fully flexible polymer melts predicts the presence of a positive residual configurational entropy at low temperatures, indicating a return to Arrhenius relaxation in the low temperature glassy state.

  1. Recent advances with generalized entropy theory of glass-formation in polymers

    NASA Astrophysics Data System (ADS)

    Freed, Karl

    The generalized entropy theory (GET) of glass-formation in polymers is a combination of the lattice cluster theory (LCT) for the configurational entropy density with the Adam-Gibbs (AG) theory for the structural relaxation time. A greatly simplified form of the GET (whose expression for the free energy is roughly double that of Flory-Huggins theory) accurately reproduces the four characteristic temperatures of glass-formation (the onset, crossover, glass transition, and Kauzmann temperatures) of the full GET to within 4K for a series of models of polymers composed of semi-flexible chains having the structure of poly(n-alpha olefins). The theory is now simple enough to be used in courses in polymer physics. Although the successes of the GET provide a strong validation of the final form of the AG theory provided the configurational entropy is used, the physical basis of the AG theory has remained an enigma. Hence, we have developed a new, more general, statistical mechanical derivation of AG theory that explains the previously perplexing observations that the string-like elementary excitations have the mass and temperature dependence of systems undergoing equilibrium self-assembly. This work is supported by the (U.S.) Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE- SC0008631.

  2. Mean field theory of directed polymers with random complex weights

    NASA Astrophysics Data System (ADS)

    Derrida, B.; Evans, M. R.; Speer, E. R.

    1993-09-01

    We show that for the problem of directed polymers on a tree with i.i.d. random complex weights on each bond, three possible phases can exist; the phase of a particular system is determined by the distribution ρ of the random weights. For each of these three phases, we give the expression of the free energy per unit length in the limit of infinitely long polymers. Our proofs require several hypotheses on the distribution ρ, most importantly, that the amplitude and the phase of each complex weight be statistically independent. The main steps of our proofs use bounds on noninteger moments of the partition function and self averaging properties of the free energy. We illustrate our results by some examples and discuss possible generalizations to a larger class of distributions, to Random Energy Models, and to the finite dimensional case. We note that our results are not in agreement with the predictions of a recent replica approach to a similar problem.

  3. Time dependent mechanical modeling for polymers based on network theory

    SciTech Connect

    Billon, Noëlle

    2016-05-18

    Despite of a lot of attempts during recent years, complex mechanical behaviour of polymers remains incompletely modelled, making industrial design of structures under complex, cyclic and hard loadings not totally reliable. The non linear and dissipative viscoelastic, viscoplastic behaviour of those materials impose to take into account non linear and combined effects of mechanical and thermal phenomena. In this view, a visco-hyperelastic, viscoplastic model, based on network description of the material has recently been developed and designed in a complete thermodynamic frame in order to take into account those main thermo-mechanical couplings. Also, a way to account for coupled effects of strain-rate and temperature was suggested. First experimental validations conducted in the 1D limit on amorphous rubbery like PMMA in isothermal conditions led to pretty goods results. In this paper a more complete formalism is presented and validated in the case of a semi crystalline polymer, a PA66 and a PET (either amorphous or semi crystalline) are used. Protocol for identification of constitutive parameters is described. It is concluded that this new approach should be the route to accurately model thermo-mechanical behaviour of polymers using a reduced number of parameters of some physical meaning.

  4. Polymer blends for use in photoelectrochemical cells for conversion of solar energy to electricity and methods for manufacturing such blends

    DOEpatents

    Skotheim, T.

    A polymer blend is disclosed of a highly conductive polymer and a solid polymer electrolyte that is designed to achieve better charge transfer across the conductive film/polymer electrolyte interface of the electrochemical photovoltaic cell. The highly conductive polymer is preferably polypyrrole or poly-N-p-nitrophenylpyrrole and the solid polymer electrolyte is preferably polyethylene oxide or polypropylene oxide.

  5. Polymer blends for use in photoelectrochemical cells for conversion of solar energy to electricity and methods for manufacturing such blends

    DOEpatents

    Skotheim, Terje

    1984-01-01

    There is disclosed a polymer blend of a highly conductive polymer and a solid polymer electrolyte that is designed to achieve better charge transfer across the conductive film/polymer electrolyte interface of the electrochemical photovoltaic cell. The highly conductive polymer is preferably polypyrrole or poly-N-p-nitrophenylpyrrole and the solid polymer electrolyte is preferably polyethylene oxide or polypropylene oxide.

  6. Practical application of game theory based production flow planning method in virtual manufacturing networks

    NASA Astrophysics Data System (ADS)

    Olender, M.; Krenczyk, D.

    2016-08-01

    Modern enterprises have to react quickly to dynamic changes in the market, due to changing customer requirements and expectations. One of the key area of production management, that must continuously evolve by searching for new methods and tools for increasing the efficiency of manufacturing systems is the area of production flow planning and control. These aspects are closely connected with the ability to implement the concept of Virtual Enterprises (VE) and Virtual Manufacturing Network (VMN) in which integrated infrastructure of flexible resources are created. In the proposed approach, the players role perform the objects associated with the objective functions, allowing to solve the multiobjective production flow planning problems based on the game theory, which is based on the theory of the strategic situation. For defined production system and production order models ways of solving the problem of production route planning in VMN on computational examples for different variants of production flow is presented. Possible decision strategy to use together with an analysis of calculation results is shown.

  7. Aerosol Emission Monitoring and Assessment of Potential Exposure to Multi-walled Carbon Nanotubes in the Manufacture of Polymer Nanocomposites

    PubMed Central

    Thompson, Drew; Chen, Sheng-Chieh; Wang, Jing; Pui, David Y.H.

    2015-01-01

    Recent animal studies have shown that carbon nanotubes (CNTs) may pose a significant health risk to those exposed in the workplace. To further understand this potential risk, effort must be taken to measure the occupational exposure to CNTs. Results from an assessment of potential exposure to multi-walled carbon nanotubes (MWCNTs) conducted at an industrial facility where polymer nanocomposites were manufactured by an extrusion process are presented. Exposure to MWCNTs was quantified by the thermal-optical analysis for elemental carbon (EC) of respirable dust collected by personal sampling. All personal respirable samples collected (n = 8) had estimated 8-h time weighted average (TWA) EC concentrations below the limit of detection for the analysis which was about one-half of the recommended exposure limit for CNTs, 1 µg EC/m3 as an 8-h TWA respirable mass concentration. Potential exposure sources were identified and characterized by direct-reading instruments and area sampling. Area samples analyzed for EC yielded quantifiable mass concentrations inside an enclosure where unbound MWCNTs were handled and near a pelletizer where nanocomposite was cut, while those analyzed by electron microscopy detected the presence of MWCNTs at six locations throughout the facility. Through size selective area sampling it was identified that the airborne MWCNTs present in the workplace were in the form of large agglomerates. This was confirmed by electron microscopy where most of the MWCNT structures observed were in the form of micrometer-sized ropey agglomerates. However, a small fraction of single, free MWCNTs was also observed. It was found that the high number concentrations of nanoparticles, ~200000 particles/cm3, present in the manufacturing facility were likely attributable to polymer fumes produced in the extrusion process. PMID:26209597

  8. Aerosol Emission Monitoring and Assessment of Potential Exposure to Multi-walled Carbon Nanotubes in the Manufacture of Polymer Nanocomposites.

    PubMed

    Thompson, Drew; Chen, Sheng-Chieh; Wang, Jing; Pui, David Y H

    2015-11-01

    Recent animal studies have shown that carbon nanotubes (CNTs) may pose a significant health risk to those exposed in the workplace. To further understand this potential risk, effort must be taken to measure the occupational exposure to CNTs. Results from an assessment of potential exposure to multi-walled carbon nanotubes (MWCNTs) conducted at an industrial facility where polymer nanocomposites were manufactured by an extrusion process are presented. Exposure to MWCNTs was quantified by the thermal-optical analysis for elemental carbon (EC) of respirable dust collected by personal sampling. All personal respirable samples collected (n = 8) had estimated 8-h time weighted average (TWA) EC concentrations below the limit of detection for the analysis which was about one-half of the recommended exposure limit for CNTs, 1 µg EC/m(3) as an 8-h TWA respirable mass concentration. Potential exposure sources were identified and characterized by direct-reading instruments and area sampling. Area samples analyzed for EC yielded quantifiable mass concentrations inside an enclosure where unbound MWCNTs were handled and near a pelletizer where nanocomposite was cut, while those analyzed by electron microscopy detected the presence of MWCNTs at six locations throughout the facility. Through size selective area sampling it was identified that the airborne MWCNTs present in the workplace were in the form of large agglomerates. This was confirmed by electron microscopy where most of the MWCNT structures observed were in the form of micrometer-sized ropey agglomerates. However, a small fraction of single, free MWCNTs was also observed. It was found that the high number concentrations of nanoparticles, ~200000 particles/cm(3), present in the manufacturing facility were likely attributable to polymer fumes produced in the extrusion process.

  9. Statistical Mechanical Theory of Penetrant Diffusion in Polymer Melts and Glasses

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Schweizer, Kenneth

    We generalize our force-level, self-consistent nonlinear Langevin equation theory of activated diffusion of a dilute spherical penetrant in hard sphere fluids to predict the long-time diffusivity of molecular penetrants in supercooled polymer liquids and non-aging glasses. Chemical complexity is treated using an a priori mapping to a temperature-dependent hard sphere mixture model where polymers are disconnected into effective spheres based on the Kuhn length as the relevant coarse graining scale. A key parameter for mobility is the penetrant to polymer segment diameter ratio, R. Our calculations agree well with experimental measurements for a wide range of temperatures, penetrant sizes (from gas molecules with R ~0.3 to aromatic molecules with R ~1) and diverse amorphous polymers, over 10 decades variation of penetrant diffusivity. Structural parameter transferability is good. We have also formulated a theory at finite penetrant loading for the coupled penetrant-polymer dynamics in chemically (nearly) matched mixtures (e.g., toluene-polystyrene) which captures well the increase of penetrant diffusivity and decrease of polymer matrix vitrification temperature with increasing loading.

  10. Modeling lower critical solution temperature behavior of associating polymer brushes with classical density functional theory.

    PubMed

    Gong, Kai; Marshall, Bennett D; Chapman, Walter G

    2013-09-07

    We study the lower critical solution temperature (LCST) behavior of associating polymer brushes (i.e., poly(N-isopropylacrylamide)) using classical density functional theory. Without using any empirical or temperature-dependent parameters, we find the phase transition of polymer brushes from extended to collapsed structure with increasing temperature, indicating the LCST behavior of polymer brushes. The LCST behavior of associating polymer brushes is attributed to the interplay of hydrogen bonding interactions and Lennard-Jones attractions in the system. The effect of grafting density and molecular weight on the phase behavior of associating polymer brushes has been also investigated. We find no LCST behavior at low grafting density or molecular weight. Moreover, increasing grafting density decreases the LCST and swelling ratio of polymer brushes. Similarly, increasing molecular weight decreases the LCST but increases the swelling ratio. At very high grafting density, a partial collapsed structure appears near the LCST. Qualitatively consistent with experiments, our results provide insight into the molecular mechanism of LCST behavior of associating polymer brushes.

  11. Invited article: Thermodynamic perturbation theory of the phase behaviour of colloid/interacting polymer mixtures

    NASA Astrophysics Data System (ADS)

    Rotenberg, B.; Dzubiella, J.; Hansen, J.-P.; Louis, A. A.

    Thermodynamic perturbation theory is used to calculate the free energies and resulting phase diagrams of binary systems of spherical colloidal particles and interacting polymer coils in a good solvent within an effective one-component representation of such mixtures, whereby the colloidal particles interact via a polymer-induced depletion potential. Monte Carlo simulations are used to test the convergence of the high temperature expansion of the free energy. The phase diagrams calculated for several polymer-to-colloid size ratios differ considerably from the results of similar calculations for mixtures of colloids and ideal (non-interacting) polymers, and are in good overall agreement with the results of an explicit two-component representation of the same system, which includes more than two-body depletion forces.

  12. Manufacture of porous polymer nerve conduits through a lyophilizing and wire-heating process.

    PubMed

    Huang, Yi-Cheng; Huang, Yi-You; Huang, Chun-Chieh; Liu, Hwa-Chang

    2005-07-01

    We have developed a method for nerve tissue regeneration using longitudinally oriented channels within biodegradable polymers created by a combined lyophilizing and wire-heating process. This type of cell-adhesive scaffold provides increased area to support and guide extending axons subsequent to nerve injury. Utilizing Ni-Cr wires as mandrels to create channels in scaffold increased safety, effectiveness, and reproducibility. The scaffolds tested were made from different biodegradable polymers, chitosan and poly(D,L-lactide-co-glycolide) (PLGA), because of their availability, ease of processing, low inflammatory response, and approval by the FDA. According to our experimental results, the high permeability and the characteristic porous structure of chitosan proved to be a better material for nerve guidance than PLGA. The scanning electron micrographs revealed that the scaffolds were consistent along the longitudinal axis with channels being distributed evenly throughout the scaffolds. There was no evidence to suggest merging or splitting of individual channels. The diameter of the channels was about 100 mum, similar to the 115 micromameter of the Ni-Cr wire. Regulating the size and quantity of the Ni-Cr wires allow us to control the number and the diameter of the channels. Furthermore, the neutralizing processes significantly influenced the porous structure of chitosan scaffolds. Using weak base (NaHCO(3) 1M) to neutralize chitosan scaffolds made the porous structure more uniform. The innovative method of using Ni-Cr wires as mandrels could be easily tailored to other polymer and solvent systems. The high permeability and the characteristic porous structure of chitosan made it a superior material for nerve tissue engineering. These scaffolds could be useful for guiding regeneration of the peripheral nerve or spinal cord after a transection injury.

  13. Theory of chromatography of partially cyclic polymers: Tadpole-type and manacle-type macromolecules.

    PubMed

    Vakhrushev, Andrey V; Gorbunov, Alexei A

    2016-02-12

    A theory of chromatography is developed for partially cyclic polymers of tadpole- and manacle-shaped topological structures. We present exact equations for the distribution coefficient K at different adsorption interactions; simpler approximate formulae are also derived, relevant to the conditions of size-exclusion, adsorption, and critical chromatography. Theoretical chromatograms of heterogeneous partially cyclic polymers are simulated, and conditions for good separation by topology are predicted. According to the theory, an effective SEC-radius of tadpoles and manacles is mostly determined by the molar mass M, and by the linear-cyclic composition. In the interactive chromatography, the effect of molecular topology on the retention becomes significant. At the critical interaction point, partial dependences K(Mlin) and K(Mring) are qualitatively different: while being almost independent of Mlin, K increases with Mring. This behavior could be realized in critical chromatography-for separation of partially cyclic polymers by the number and molar mass of cyclic elements.

  14. Manufacturing technologies

    NASA Astrophysics Data System (ADS)

    The Manufacturing Technologies Center is at the core of Sandia National Laboratories' advanced manufacturing effort which spans the entire product realization process. The center's capabilities in product and process development are summarized in the following disciplines: (1) mechanical - rapid prototyping, manufacturing engineering, machining and computer-aided manufacturing, measurement and calibration, and mechanical and electronic manufacturing liaison; (2) electronics - advanced packaging for microelectronics, printed circuits, and electronic fabrication; and (3) materials - ceramics, glass, thin films, vacuum technology, brazing, polymers, adhesives, composite materials, and process analysis.

  15. Fluids density functional theory studies of supramolecular polymers at a hard surface.

    PubMed

    McGarrity, E S; Thijssen, J M; Besseling, N A M

    2010-08-28

    We have applied a fluids density functional theory based on that of Yu and Wu [J. Chem. Phys. 116, 7094 (2002)] to treat reversible supramolecular polymers near a hard surface. This approach combines a hard-sphere fluids density functional theory with the first-order thermodynamic perturbation theory of Wertheim. The supramolecular polymers are represented in the theory by hard-spheres with two associating sites. We explore the effects of the bonding scheme, monomer concentration, and association energy upon the equilibrium chain sizes and the depletion lengths. This study is performed on simple systems containing two-site monomers and binary mixtures of two-site monomers combined with end stopper monomers which have only a single association site. Our model has correct behavior in the dilute and overlap regimes and the bulk results can be easily connected to simpler random-flight models. We find that there is a nonmonotonic behavior of the depletion length of the polymers as a function of concentration and that this depletion length can be controlled through the concentration of end stoppers. These results are applicable to the study of colloidal dispersions in supramolecular polymer solutions.

  16. Microscopic theory of gelation and elasticity in polymer-particle suspensions.

    PubMed

    Chen, Yeng-Long; Schweizer, Kenneth S

    2004-04-15

    A simplified mode-coupling theory (MCT) of ergodic-nonergodic transitions, in conjunction with an accurate two-component polymer reference interaction site model (PRISM) theory for equilibrium structural correlations, has been systematically applied to investigate gelation, localization, and elasticity of flexible polymer-hard particle suspensions. The particle volume fraction at the fluid-gel transition is predicted to depend exponentially on reduced polymer concentration and size asymmetry ratio at relatively high colloid concentrations. In contrast, at lower particle volume fractions, a power-law dependence on polymer concentration is found with effective exponents and prefactors that depend systematically on the polymer/particle size ratio. Remarkable power-law and near universal scaling behavior is found for the localization length and elastic shear modulus. Multiple experiments for gel boundaries and shear moduli are in good agreement with the no adjustable parameter theory. The one exception is the absolute magnitude of the shear modulus which is strongly overpredicted, apparently due to nonequilibrium dense cluster formation. The simplified MCT-PRISM theory also captures the qualitative aspects of the weak depletion-driven "glass melting" phenomenon at high particle volume fractions. Calculations based on an effective one-component model of structure within a low particle volume fraction framework yield qualitatively different features than the two-component approach and are apparently all in disagreement with experiments. This suggests that volume fraction and size asymmetry dependent many-body screening of polymer-mediated depletion attractions at finite particle concentrations are important. (c) 2004 American Institute of Physics.

  17. Manufacturing Techniques and Surface Engineering of Polymer Based Nanoparticles for Targeted Drug Delivery to Cancer

    PubMed Central

    Wang, Yichao; Li, Puwang; Truong-Dinh Tran, Thao; Zhang, Juan; Kong, Lingxue

    2016-01-01

    The evolution of polymer based nanoparticles as a drug delivery carrier via pharmaceutical nano/microencapsulation has greatly promoted the development of nano- and micro-medicine in the past few decades. Poly(lactide-co-glycolide) (PLGA) and chitosan, which are biodegradable and biocompatible polymers, have been approved by both the Food & Drug Administration (FDA) and European Medicine Agency (EMA), making them ideal biomaterials that can be advanced from laboratory development to clinical oral and parental administrations. PLGA and chitosan encapsulated nanoparticles (NPs) have successfully been developed as new oral drug delivery systems with demonstrated high efficacy. This review aims to provide a comprehensive overview of the fabrication of PLGA and chitosan particulate systems using nano/microencapsulation methods, the current progress and the future outlooks of the nanoparticulate drug delivery systems. Especially, we focus on the formulations and nano/micro-encapsulation techniques using top-down techniques. It also addresses how the different phases including the organic and aqueous ones in the emulsion system interact with each other and subsequently influence the properties of the drug delivery system. Besides, surface modification strategies which can effectively engineer intrinsic physicochemical properties are summarised. Finally, future perspectives and potential directions of PLGA and chitosan nano/microencapsulated drug systems are outlined. PMID:28344283

  18. Binary Mutual Diffusion Coefficients of Polymer/Solvent Systems Using Compressible Regular Solutions Theory and Free Volume Theory

    NASA Astrophysics Data System (ADS)

    Farajnezhad, Arsalan; Asef Afshar, Orang; Asgarpour Khansary, Milad; Shirazian, Saeed

    2016-07-01

    The free volume theory has found practical application for prediction of diffusional behavior of polymer/solvent systems. In this paper, reviewing free volume theory, binary mutual diffusion coefficients in some polymer/solvent systems have been systematically presented through chemical thermodynamic modeling in terms of both activity coefficients and fugacity coefficients models. Here chemical thermodynamic model of compressible regular solution (CRS) was used for evaluation of diffusion coefficients calculations as the pure component properties would be required only. Four binary polymeric solutions of cyclohexane/polyisobutylene, n-pentane/polyisobutylene, toluene/polyisobutylene and chloroform/polyisobutylene were considered. The agreement between calculated data and the experimentally collected data was desirable and no considerable error propagation in approximating mutual diffusion coefficients has been observed.

  19. Theory and Manufacturing Processes of Solar NanoAntenna Electromagnetic Collectors

    SciTech Connect

    Dale K. Kotter; Steven D. Novack

    2010-02-01

    DRAFT For Submittal to Journal of Solar Energy - Rev 10.1 ---SOL-08-1091 SOLAR Nantenna Electromagnetic Collectors Dale K. Kotter Idaho National Laboratory Steven D. Novack Idaho National Laboratory W. Dennis Slafer MicroContinuum, Inc. Patrick Pinhero University of Missouri ABSTRACT The research described in this paper explores a new and efficient approach for producing electricity from the abundant energy of the sun, using nanoantenna (nantenna) electromagnetic collectors (NECs). NEC devices target mid-infrared wavelengths, where conventional photovoltaic (PV) solar cells are inefficient and where there is an abundance of solar energy. The initial concept of designing NECs was based on scaling of radio frequency antenna theory to the infrared and visible regions. This approach initially proved unsuccessful because the optical behavior of materials in the terahertz (THz) region was overlooked and, in addition, economical nanofabrication methods were not previously available to produce the optical antenna elements. This paper demonstrates progress in addressing significant technological barriers, including: 1) development of frequency-dependent modeling of double-feedpoint square spiral nantenna elements; 2) selection of materials with proper THz properties; and 3) development of novel manufacturing methods that could potentially enable economical large-scale manufacturing. We have shown that nantennas can collect infrared energy and induce THz currents, and we have also developed cost-effective proof-of-concept fabrication techniques for the large-scale manufacture of simple square loop nantenna arrays. Future work is planned to embed rectifiers into the double-feedpoint antenna structures. This work represents an important first step toward the ultimate realization of a low-cost device that will collect as well as convert this radiation into electricity. This could lead to a broadband, high conversion efficiency low-cost solution to complement conventional PV

  20. Crystal structures and properties of nylon polymers from theory

    SciTech Connect

    Dasgupta, S.; Goddard, W.A. III; Hammond, W.B.

    1996-12-11

    A complete force field (MSXX) for simulation of all nylon polymers is derived from ab initio quantum calculations. Special emphasis is given to the accuracy of the hydrogen bond potential for the amide unit and the torsional potential between the peptide and alkane fragments. The MSXX force field was used to predict the structures, moduli, and detailed geometries of all nine nylons for which there are experimental crystal data plus one other. For nylon-(2n) with 2n = 6, the {alpha} crystal structure (with all-trans CH{sub 2} chains nearly coplanar with the hydrogen bonding plane) is more stable, while for 2n > 6, {gamma} (with the alkane plane twisted by 70{degree}) is more stable. This change results from the increased importance of methylene packing interactions over H bonds for larger 2n. We find the highest Young`s modulus for nylon-7. 51 refs., 6 figs., 7 tabs.

  1. An investigation of the structure-property relationships in ionic polymer polymer composites (IP2Cs) manufactured by polymerization in situ of PEDOT/PSS on Nafion®117

    NASA Astrophysics Data System (ADS)

    Di Pasquale, G.; Graziani, S.; Messina, F. G.; Pollicino, A.; Puglisi, R.; Umana, E.

    2014-03-01

    Ionic polymer polymer composites (IP2Cs) are all-organic electroactive polymers (EAPs) that show sensing and actuation capabilities when a deformation or a voltage is applied, respectively. They are fabricated starting from an ionic polymer coated on both sides with a conducting polymer as electrode element. In this work, poly(3,4-ethylendioxytiophene)-poly-(styrenesulfonate) (PEDOT/PSS) has been polymerized directly on Nafion®117 membrane and devices have been manufactured varying the polymerization time. Water and ethylene glycol (EG) have been used as solvents. The obtained IP2Cs have been characterized using thermal and mechanical analyses and electromechanically tested. The results have shown that in IP2Cs manufactured by polymerization in situ the PEDOT/PSS layer adheres very strongly on the Nafion®117 film, improving the possibility of rehydrating the devices after use. Moreover, taking into account that the different polymerization times influence the uniformity of the surface of the organic electrode and, consequently, both device stiffness and electrode conductivity, the structure-property relationships of the obtained devices have been investigated. The influence of the different solvents inside the devices has also been studied when IP2Cs have been used as actuators or sensors. Reported results show that it is possible to modulate the performances of IP2Cs by varying some manufacture parameters and the solvent.

  2. Application of binary interaction theory to linear and nonlinear rheology of star-branched polymers

    NASA Astrophysics Data System (ADS)

    Chen, Han-Wen

    2001-12-01

    The binary interaction (BI) theory recently developed by David W. Mead, Ronald G. Larson, and Masao Doi (1998) is based on two fundamental postulates strongly supported by experimental data: (1)stress-optic rule, (2)binary interaction principle. The BI theory is general and in principle applies to all entangled flexible polymers regardless of molecular architecture. Three parameters are required in the BI theory to establish the length and time scales for the system: the plateau modulus, the entanglement molecular weight, and the Rouse relaxation time scale. This thesis focuses on the first application of the BI theory to polymers with long-chain branches (LCB): star polymers. A mathematically simplified star model is derived analytically by performing a boundary layer analysis on the full BI model, resulting in an entanglement flux balance between star tip fluctuational penetration inward and convective constraint release (CCR)/convection outward from the star core. The simplified BI star theory for small deformations is compared with the well-established Ball-McLeish model. Juxtaposition of both simulations shows essentially quantitative equivalence. The empirical Cox-Merz viscosity rule for star-branched polymers is analytically derived from the simplified BI star model. The underlying physical basis of the validity of the Cox-Merz relationship for fast, nonlinear flows is a direct consequence of the combined effect of CCR and convection. Simulations from the simplified BI star model agree well with experimental dynamic moduli and flow curves of melts/concentrated solutions of various polymer species from literature data with no adjustable parameters. Flow curve crossover phenomena and subsequent merger reported for matched star and linear polymers are quantitatively predicted by the BI theory. The flow curve crossover of a matched set of star and linear polymers represents a transition of material response from Brownian-motion- governed linear viscoelasticity

  3. Scalable-manufactured randomized glass-polymer hybrid metamaterial for daytime radiative cooling.

    PubMed

    Zhai, Yao; Ma, Yaoguang; David, Sabrina N; Zhao, Dongliang; Lou, Runnan; Tan, Gang; Yang, Ronggui; Yin, Xiaobo

    2017-03-10

    Passive radiative cooling draws heat from surfaces and radiates it into space as infrared radiation to which the atmosphere is transparent. However, the energy density mismatch between solar irradiance and the low infrared radiation flux from a near-ambient-temperature surface requires materials that strongly emit thermal energy and barely absorb sunlight. We embedded resonant polar dielectric microspheres randomly in a polymeric matrix, resulting in a metamaterial that is fully transparent to the solar spectrum while having an infrared emissivity greater than 0.93 across the atmospheric window. When backed with a silver coating, the metamaterial shows a noontime radiative cooling power of 93 watts per square meter under direct sunshine. More critically, we demonstrated high-throughput, economical roll-to-roll manufacturing of the metamaterial, which is vital for promoting radiative cooling as a viable energy technology.

  4. Scalable-manufactured randomized glass-polymer hybrid metamaterial for daytime radiative cooling

    NASA Astrophysics Data System (ADS)

    Zhai, Yao; Ma, Yaoguang; David, Sabrina N.; Zhao, Dongliang; Lou, Runnan; Tan, Gang; Yang, Ronggui; Yin, Xiaobo

    2017-03-01

    Passive radiative cooling draws heat from surfaces and radiates it into space as infrared radiation to which the atmosphere is transparent. However, the energy density mismatch between solar irradiance and the low infrared radiation flux from a near-ambient-temperature surface requires materials that strongly emit thermal energy and barely absorb sunlight. We embedded resonant polar dielectric microspheres randomly in a polymeric matrix, resulting in a metamaterial that is fully transparent to the solar spectrum while having an infrared emissivity greater than 0.93 across the atmospheric window. When backed with a silver coating, the metamaterial shows a noontime radiative cooling power of 93 watts per square meter under direct sunshine. More critically, we demonstrated high-throughput, economical roll-to-roll manufacturing of the metamaterial, which is vital for promoting radiative cooling as a viable energy technology.

  5. Analytic models of regularly branched polymer brushes using the self-consistent mean field theory

    NASA Astrophysics Data System (ADS)

    LeSher, Daniel

    2015-10-01

    Polymer brushes consist of multiple monomers connected together with one of the polymer chain's ends attached to a surface. Polymer brushes have shown great promise for a wide variety of applications including drug delivery dendrimer systems and as tunable brushes that can change their shape and physical properties in response to changes in their environment. Regularly branched polymer brushes which are structured as a function of their chemical indices are investigated here using the self-consistent mean field theory for electrically neutral polymers. The brushes were described using weighting functions, f(n), were n was the fewest number of monomers from a specified location to a free end. Brushes with weighting functions of the form f(n)=nb, f(n)=ebn, as well as f(n)=dan when d 2 and alpha > 2 were found to match the parabolic free chain end profile expected, while it was determined that polymer brushes described using f(n)=n b must be very small in order to remain in equilibrium. However, brushes described by f(n)=2G(N-n) N and f(n)2n were found to be unstable for real, positive values of the potential of the system.

  6. Renormalized one-loop theory of correlations in polymer blends

    NASA Astrophysics Data System (ADS)

    Qin, Jian; Morse, David C.

    2009-06-01

    The renormalized one-loop theory is a coarse-grained theory of corrections to the random phase approximation (RPA) theory of composition fluctuations. We present predictions of corrections to the RPA for the structure function S(k ) and to the random walk model of single-chain statics in binary homopolymer blends. We consider an apparent interaction parameter χa that is defined by applying the RPA to the small k limit of S(k ). The predicted deviation of χa from its long chain limit is proportional to N-1/2, where N is the chain length. This deviation is positive (i.e., destabilizing) for weakly nonideal mixtures, with χaN≲1, but negative (stabilizing) near the critical point. The positive correction to χa for low values of χaN is a result of the fact that monomers in mixtures of shorter chains are slightly less strongly shielded from intermolecular contacts. The predicted depression in χa near the critical point is a result of long-wavelength composition fluctuations. The one-loop theory predicts a shift in the critical temperature of O(N-1/2), which is much greater than the predicted O(N-1) width of the Ginzburg region. Chain dimensions are found to deviate slightly from those of a random walk even in a one-component melt and contract slightly as thermodynamic repulsion is increased. Predictions for S(k ) and single-chain properties are compared to published lattice Monte Carlo simulations.

  7. Renormalized one-loop theory of correlations in polymer blends.

    PubMed

    Qin, Jian; Morse, David C

    2009-06-14

    The renormalized one-loop theory is a coarse-grained theory of corrections to the random phase approximation (RPA) theory of composition fluctuations. We present predictions of corrections to the RPA for the structure function S(k) and to the random walk model of single-chain statics in binary homopolymer blends. We consider an apparent interaction parameter chi(a) that is defined by applying the RPA to the small k limit of S(k). The predicted deviation of chi(a) from its long chain limit is proportional to N(-1/2), where N is the chain length. This deviation is positive (i.e., destabilizing) for weakly nonideal mixtures, with chi(a)N less than or approximately 1, but negative (stabilizing) near the critical point. The positive correction to chi(a) for low values of chi(a)N is a result of the fact that monomers in mixtures of shorter chains are slightly less strongly shielded from intermolecular contacts. The predicted depression in chi(a) near the critical point is a result of long-wavelength composition fluctuations. The one-loop theory predicts a shift in the critical temperature of O(N(-1/2)), which is much greater than the predicted O(N(-1)) width of the Ginzburg region. Chain dimensions are found to deviate slightly from those of a random walk even in a one-component melt and contract slightly as thermodynamic repulsion is increased. Predictions for S(k) and single-chain properties are compared to published lattice Monte Carlo simulations.

  8. Theory and characteristics of holographic polymer dispersed liquid crystal transmission grating with scaffolding morphology.

    PubMed

    Huang, Wenbin; Liu, Yonggang; Diao, Zhihui; Yang, Chengliang; Yao, Lishuang; Ma, Ji; Xuan, Li

    2012-06-20

    We have performed a detailed characterization of the optical properties of a holographic polymer dispersed liquid crystal (LC) transmission grating with polymer scaffolding morphology, which was fabricated with conventional high-functionality acrylate monomer under low curing intensity. Temporal evolution of the grating formation was investigated, and the amount of phase-separated LC was determined by birefringence investigation. A grating model combined with anisotropic coupled-wave theory yielded good agreement with experimental data without any fitting parameter. The results in this study demonstrate the non droplet scaffolding morphology grating is characterized by a high degree of phase separation (70%), high anisotropy, low scattering loss (<6%), and high diffraction efficiency (95%).

  9. Theory of Exciton Migration and Field-Induced Dissociation in Conjugated Polymers

    NASA Astrophysics Data System (ADS)

    Vissenberg, M. C. J. M.; de Jong, M. J. M.

    1996-12-01

    The interplay of migration, recombination, and dissociation of excitons in disordered media is studied theoretically in the low temperature regime. An exact expression for the photoluminescence spectrum is obtained. The theory is applied to describe the electric field-induced photoluminescence-quenching experiments by Kersting et al. [Phys. Rev. Lett. 73, 1440 (1994)] and Deussen et al. [Synth. Met. 73, 123 (1995)] on conjugated polymer systems. Good agreement with experiment is obtained using an on-chain dissociation mechanism, which implies a separation of the electron-hole pair along the polymer chain.

  10. Valorisation of waste ilmenite mud in the manufacture of sulphur polymer cement.

    PubMed

    Contreras, Manuel; Gázquez, Manuel Jesús; García-Díaz, Irene; Alguacil, Francisco J; López, Félix A; Bolívar, Juan Pedro

    2013-10-15

    This paper reports the preparation of sulphur polymer cements (SPCs) incorporating waste ilmenite mud for use in concrete construction works. The ilmenite mud raw material and the mud-containing SPCs (IMC-SPCs) were characterised physico-chemically and radiologically. The optimal IMC-SPC mixture had a sulphur/mud ratio (w/w) of 1.05 (mud dose 20 wt%); this cement showed the greatest compressive strength (64 MPa) and the lowest water absorption coefficient (0.4 g cm(-2) at 28 days). Since ilmenite mud is enriched in natural radionuclides, such as radium isotopes (2.0·10(3) Bq kg(-1)(228)Ra and 5.0·10(2) Bq kg(-1)(226)Ra), the IMC-SPCs were subjected to leaching experiments, which showed their environmental impact to be negligible. The activity concentration indices for the different radionuclides in the IMC-SPCs containing 10% and 20% ilmenite mud met the demands of international standards for materials used in the construction of non-residential buildings.

  11. Fuzzy Set Theory Applied to Measurement Data for Exposure Control in Beryllium Part Manufacturing.

    SciTech Connect

    Parkinson, W. J. ,; Abeln, S. P.; Creek, K. L.; Mortensen, F. N.; Wantuck, P. J.; Ross, Timothy J.; Jamshidi, Mohammad

    2002-01-01

    Fuzzy set theory has been applied to some exposure control problems encountered in the machining and the manufacturing of beryllium parts at Los Alamos National Laboratory. A portion of that work is presented here. The major driving force for using fuzzy techniques in this case rather than classical statistical process control is that beryllium exposure is very task dependent and this manufacturing plant is quite atypical. It is feared that standard techniques produce too many false alarms. Our beryllium plant produces parts on a daily basis, but every day is different. Some days many parts are produced and some days only a few. Some times the parts are large and sometimes the parts are small. Some machining cuts are rough and some are fine. These factors and others make it hard to define a typical day. The problem of concern, for this study, is the worker beryllium exposure. Even though the plant is new and very modern and the exposure levels are expected to be well below the required levels, the Department of Energy (DOE), who is our major customer, has demanded that the levels for this plant be well below required levels. The control charts used to monitor this process are expected to answer two questions: (1) Is the process out of Control? Do we need to instigate special controls such as requiring workers to use respirators? (2) Are new, previously untested, controls making a difference? The standard Schewart type control charts, based on consistent plant operating conditions do not adequately answer this question. The approach described here is based upon a fuzzy modification to the Schewart Xbar-R chart. This approach is expected to yield better results than work based upon the classical probabilistic control chart.

  12. Nerve guides manufactured from photocurable polymers to aid peripheral nerve repair.

    PubMed

    Pateman, Christopher J; Harding, Adam J; Glen, Adam; Taylor, Caroline S; Christmas, Claire R; Robinson, Peter P; Rimmer, Steve; Boissonade, Fiona M; Claeyssens, Frederik; Haycock, John W

    2015-05-01

    The peripheral nervous system has a limited innate capacity for self-repair following injury, and surgical intervention is often required. For injuries greater than a few millimeters autografting is standard practice although it is associated with donor site morbidity and is limited in its availability. Because of this, nerve guidance conduits (NGCs) can be viewed as an advantageous alternative, but currently have limited efficacy for short and large injury gaps in comparison to autograft. Current commercially available NGC designs rely on existing regulatory approved materials and traditional production methods, limiting improvement of their design. The aim of this study was to establish a novel method for NGC manufacture using a custom built laser-based microstereolithography (μSL) setup that incorporated a 405 nm laser source to produce 3D constructs with ∼ 50 μm resolution from a photocurable poly(ethylene glycol) resin. These were evaluated by SEM, in vitro neuronal, Schwann and dorsal root ganglion culture and in vivo using a thy-1-YFP-H mouse common fibular nerve injury model. NGCs with dimensions of 1 mm internal diameter × 5 mm length with a wall thickness of 250 μm were fabricated and capable of supporting re-innervation across a 3 mm injury gap after 21 days, with results close to that of an autograft control. The study provides a technology platform for the rapid microfabrication of biocompatible materials, a novel method for in vivo evaluation, and a benchmark for future development in more advanced NGC designs, biodegradable and larger device sizes, and longer-term implantation studies. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  13. Microscopic Theories of Diffusion, Tube Localization and Slow Relaxation in Polymer Nanocomposites

    NASA Astrophysics Data System (ADS)

    Schweizer, Kenneth

    2014-03-01

    Dynamics in polymer nanocomposites is rich and complex but poorly understood due to the presence of multiple length scales, excluded volume effects and other factors. We have developed new statistical mechanical theories at the level of forces for particle and polymer motion in flexible and rigid polymers. This talk presents an overview, including quantitative comparisons to simulations and experiments. First, by combining Brownian motion, polymer physics and mode coupling ideas, a self-consistent theory for the non-hydrodynamic diffusion of a spherical nanoparticle in melts has been constructed. Three competing mechanisms are predicted: sieving-like diffusion through unentangled regions, reptation-driven constraint release in entangled melts, and activated hopping through entanglement meshes. The controlling mechanism depends on particle size, tube diameter and entanglement density. The approach can also treat soft fillers, nonspherical particles, adsorption, solutions and networks. Second, a self-consistent microscopic theory for the slow dynamics of a needle fluid in a matrix of static spheres has been developed which exactly enforces inter-needle topological uncrossability and needle- sphere impenetrability constraints at the two-body level. The rich dependences of the effective tube diameter and anisotropic diffusion constants on filler-needle aspect ratio, polymer concentration and particle volume fraction has been established. Due to steric blocking of longitudinal motion by obstacles, a literal localization transition is predicted that is controlled by the particle to tube diameter ratio. For a restricted window of parameter space, needles are predicted to diffuse via a ``renormalized'' reptation dynamics where compression of the tube and suppression of longitudinal diffusivity enter in a manner that depends on all system variables. Generalization of the approach to treat mobile fillers, flexible chains and nonrandom microstructure is possible.

  14. Mortality of a cohort of workers in the styrene-butadiene polymer manufacturing industry (1943-1982)

    SciTech Connect

    Matanoski, G.M.; Santos-Burgoa, C.; Schwartz, L. )

    1990-06-01

    A cohort of 12,110 male workers employed 1 or more years in eight styrene-butadiene polymer (SBR) manufacturing plants in the United States and Canada has been followed for mortality over a 40-year period, 1943 to 1982. The all-cause mortality of these workers was low (standardized mortality ratio (SMR) = 0.81) compared to that of the general population. However, some specific sites of cancers had SMRs that exceeded 1.00. These sites were then examined by major work divisions. The sites of interest included leukemia and non-Hodgkin's lymphoma in whites. The SMRs for cancers of the digestive tract were higher than expected, especially esophageal cancer in whites and stomach cancer in blacks. The SMR for arteriosclerotic heart disease in black workers was significantly higher than would be expected based on general population rates. Employees were assigned to a work area based on job longest held. The SMRs for specific diseases differed by work area. Production workers showed increased SMRs for hematologic neoplasms and maintenance workers, for digestive cancers. A significant excess SMR for arteriosclerotic heart disease occurred only in black maintenance workers, although excess mortality from this disease occurred in blacks regardless of where they worked the longest. A significant excess SMR for rheumatic heart disease was associated with work in the combined, all-other work areas. For many causes of death, there were significant deficits in the SMRs.

  15. Manufacturability and optical functionality of multimode optical interconnections developed with fast processable and reliable polymer waveguide silicones

    NASA Astrophysics Data System (ADS)

    Liu, Joe; Lee, Allen; Hu, Mike; Chan, Lisa; Huang, Sean; Swatowski, Brandon W.; Weidner, W. Ken; Han, Joseph

    2015-03-01

    We report on the manufacturing, reliability, and optical functionality of multimode optical waveguide devices developed with a fast processable optical grade silicone. The materials show proven optical losses of <0.05 dB/cm @ 850 nm, surviving >2000 hours 85°C/85% relative humidity testing as well as >4 cycles of wave solder reflow. Fabrication speeds of <10 minutes are shown for a full waveguide stack. Step index 50×50 μm waveguides were fabricated and passively MT connectorized on rigid FR4 and flexible polyimide substrates with precise alignment features (cut by dicing saw or ablated by UV laser). Two out-of-plane coupling techniques were demonstrated in this paper, a MT connectorized sample with a 45° turning lens as well as 45° dielectric mirrors on waveguides by dicing saw. Multiple connections between fiber and polymer waveguides with MPO and two out-of-plane coupling techniques in a complete optical link are demonstrated @ 10 Gbps data rates with commercial transceiver modules. Also, complex waveguide geometries such as turnings and crossings are demonstrated by QSFP+ transceiver. The eye diagram analyses show comparable results in functionality between silicone waveguide and fiber formats.

  16. Mortality of a cohort of workers in the styrene-butadiene polymer manufacturing industry (1943-1982).

    PubMed Central

    Matanoski, G M; Santos-Burgoa, C; Schwartz, L

    1990-01-01

    A cohort of 12,110 male workers employed 1 or more years in eight styrene-butadiene polymer (SBR) manufacturing plants in the United States and Canada has been followed for mortality over a 40-year period, 1943 to 1982. The all-cause mortality of these workers was low [standardized mortality ratio (SMR) = 0.81] compared to that of the general population. However, some specific sites of cancers had SMRs that exceeded 1.00. These sites were then examined by major work divisions. The sites of interest included leukemia and non-Hodgkin's lymphoma in whites. The SMRs for cancers of the digestive tract were higher than expected, especially esophageal cancer in whites and stomach cancer in blacks. The SMR for arteriosclerotic heart disease in black workers was significantly higher than would be expected based on general population rates. Employees were assigned to a work area based on job longest held. The SMRs for specific diseases differed by work area. Production workers showed increased SMRs for hematologic neoplasms and maintenance workers, for digestive cancers. A significant excess SMR for arteriosclerotic heart disease occurred only in black maintenance workers, although excess mortality from this disease occurred in blacks regardless of where they worked the longest. A significant excess SMR for rheumatic heart disease was associated with work in the combined, all-other work areas. For many causes of death, there were significant deficits in the SMRs. PMID:2401250

  17. Improved manufacturing technology for producing porous Nafion for high-performance ionic polymer-metal composite actuators

    NASA Astrophysics Data System (ADS)

    Zhao, Dongxu; Li, Dichen; Wang, Yanjie; Chen, Hualing

    2016-07-01

    The current actuation performance of ionic polymer-metal composites (IPMCs) limits their further application in the aerospace, energy, and optics fields, among others. To overcome this issue, we developed a freeze-drying process to generate Nafion membranes with a porous structure, the characteristics of which were investigated using thermogravimetric analysis, Fourier transform infrared spectrometry, field-emission scanning electron microscopy, and water uptake tests. The pores fabricated using the developed freeze-drying process had a diameter of approximately 270 nm, and a porosity of nearly 40.45%. The displacement and the central angle were introduced as variables to evaluate the bending deformation of an IPMC actuator based on the porous Nafion membrane. Compared with conventional actuators, this IPMC actuator showed an increase in displacement of 4963.6% at 2 V, and an increase in central angle of 73.35% at 3 V. Although the blocking forces of this IPMC actuator decreased to some extent, it was confirmed that the integrated actuation performance, which was evaluated using the strain energy density increment, was improved. The performance of the IPMC actuator was enhanced as a result of the porous Nafion structure manufactured using the developed freeze-drying process.

  18. Theory of Quantum Hopping In Metallic Polymers and Applications in Electronics

    NASA Astrophysics Data System (ADS)

    Prigodin, Vladimir

    2005-03-01

    The low frequency electromagnetic response of highly conducting polymers (e.g., polyaniline and polypyrrole) in a metallic state^1, when analyzed within the standard theory of metals, is provided by an extremely small fraction of the total number of available electrons ˜ 0.1 % (in contrast to ˜ 100 % for common metals such as Cu, Ag, or Ni) but with anomalous long scattering time > 10-13 s (˜ 100 times longer than for common metals). We show that a chain-linked network of metallic grains (the polymer's crystalline domains) connected by resonance quantum tunneling through strongly localized states in surrounding disordered medium produces this behavior. The small fraction of electrons is assigned to the low density of resonance states and the long scattering time is related to the narrow width of energy levels in resonance. Recently a new interesting phenomenon, an electric field effect, was reported for the doped highly conducting polymers. Upon applying the gate voltage of a few volts the conductivity of the polymer film drops by a several orders of magnitude^2. This observation is in conflict with the fact that the electric field cannot penetrate into a conductor further that the `lattice constant', and therefore its effect on the polymer film of ˜ 100 nm thickness should be negligible. We suggest that the field effect in doped conducting polymers is an electric field induced conductor-nonconductor transition described by the chain-linked granular model in the presence of mobile ions. The ion motion under the gate voltage is breaking the interdot percolation network by removing critical hoping sites and as a result producing the conductor-nonconductor transition. The experimental evidences for the present mechanism of field effect in conducting polymers are presented. *R.S. Kohlman et al., Phys. Rev. Lett. 78, 3915 (1997). *A.J. Epstein et al., Curr. Appl. Phys. 2, 339 (2002).

  19. Architecture-Induced Size Asymmetry and Effective Interactions of Ring Polymers: Simulation and Theory

    PubMed Central

    2013-01-01

    We investigate, by means of Monte Carlo simulations, the role of ring architecture and topology on the relative sizes of two interacting polymers as a function of the distance between their centers-of-mass. As a general rule, polymers swell as they approach each other, irrespectively of their topologies. For each mutual separation, two identical linear polymers adopt the same average size. However, unknotted rings at close separations adopt different sizes, with the small one being “nested” within the large one over long time intervals, exchanging their roles in the course of the simulation. For two rings of different architectures and identical polymerization degree, the knotted one is always smaller, penetrating the unknotted one. On the basis of these observations, we propose a phenomenological theory for the effective interactions between rings, modeling them as unequal-sized penetrable spheres. This simple approximation provides a good description of the simulation results. In particular, it rationalizes the non-Gaussian shape and the short-distance plateau observed in the effective potential between unknotted ring polymers and pairs of unequal-sized unknotted/knotted ones. Our results demonstrate the crucial role of the architecture on both the effective interactions and the molecular size for strongly interpenetrating polymers. PMID:24347686

  20. Density functional theory for the recognition of polymer at nanopatterned surface

    NASA Astrophysics Data System (ADS)

    Chen, Houyang; Ye, Zhencheng; Peng, Changjun; Liu, Honglai; Hu, Ying

    2006-11-01

    The recognition of homopolymer at nanopatterned surface has been investigated by density functional theory (DFT). Chain conformation and pattern transfer parameter predicted from the DFT are in good agreement with Monte Carlo simulation results. The theory describes satisfactorily the transition from depletion at low packing fractions to adsorption and double-layer adsorption at high packing fractions and also accounts for the crucial effect of the segment-wall interaction. It is found that homopolymer is better recognized at a low bulk density and a stronger interaction with the surface. The polymer can not only recognize the surface but also invert the surface at high bulk densities. The chain in the solution-wall interface exhibits a typical "brush" conformation with a length approximated by half the length of polymer chain.

  1. Design of ultra-broadband terahertz polymer waveguide emitters for telecom wavelengths using coupled mode theory.

    PubMed

    Vallejo, Felipe A; Hayden, L Michael

    2013-03-11

    We use coupled mode theory, adequately incorporating optical losses, to model ultra-broadband terahertz (THz) waveguide emitters (0.1-20 THz) based on difference frequency generation of femtosecond infrared (IR) optical pulses. We apply the model to a generic, symmetric, five-layer, metal/cladding/core waveguide structure using transfer matrix theory. We provide a design strategy for an efficient ultra-broadband THz emitter and apply it to polymer waveguides with a nonlinear core composed of a poled guest-host electro-optic polymer composite and pumped by a pulsed fiber laser system operating at 1567 nm. The predicted bandwidths are greater than 15 THz and we find a high conversion efficiency of 1.2 × 10(-4) W(-1) by balancing both the modal phase-matching and effective mode attenuation.

  2. Implementation of Laminate Theory Into Strain Rate Dependent Micromechanics Analysis of Polymer Matrix Composites

    NASA Technical Reports Server (NTRS)

    Goldberg, Robert K.

    2000-01-01

    A research program is in progress to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to impact loads. Previously, strain rate dependent inelastic constitutive equations developed to model the polymer matrix were implemented into a mechanics of materials based micromechanics method. In the current work, the computation of the effective inelastic strain in the micromechanics model was modified to fully incorporate the Poisson effect. The micromechanics equations were also combined with classical laminate theory to enable the analysis of symmetric multilayered laminates subject to in-plane loading. A quasi-incremental trapezoidal integration method was implemented to integrate the constitutive equations within the laminate theory. Verification studies were conducted using an AS4/PEEK composite using a variety of laminate configurations and strain rates. The predicted results compared well with experimentally obtained values.

  3. Proposed sets of critical exponents for randomly branched polymers, using a known string theory model

    NASA Astrophysics Data System (ADS)

    March, N. H.; Moreno, A. J.

    2016-06-01

    The critical exponent ν for randomly branched polymers with dimensionality d equal to 3, is known exactly as 1/2. Here, we invoke an already available string theory model to predict the remaining static critical exponents. Utilizing results of Hsu et al. (Comput Phys Commun. 2005;169:114-116), results are added for d = 8. Experiment plus simulation would now be important to confirm, or if necessary to refine, the proposed values.

  4. Density-functional theory for polymer-carbon dioxide mixtures: A perturbed-chain SAFT approach

    NASA Astrophysics Data System (ADS)

    Xu, Xiaofei; Cristancho, Diego E.; Costeux, Stéphane; Wang, Zhen-Gang

    2012-08-01

    We propose a density-functional theory (DFT) describing inhomogeneous polymer-carbon dioxide mixtures based on a perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS). The weight density functions from fundamental measure theory are used to extend the bulk excess Helmholtz free energy to the inhomogeneous case. The additional long-range dispersion contributions are included using a mean-field approach. We apply our DFT to the interfacial properties of polystyrene-CO2 and poly(methyl methacrylate) CO2 systems. Calculated values for both solubility and interfacial tension are in good agreement with experimental data. In comparison with our earlier DFT based on the Peng-Robinson-SAFT EOS, the current DFT produces quantitatively superior agreement with experimental data and is free of the unphysical behavior at high pressures (>35 MPa) in the earlier theory.

  5. Density-functional theory for polymer-carbon dioxide mixtures: a perturbed-chain SAFT approach.

    PubMed

    Xu, Xiaofei; Cristancho, Diego E; Costeux, Stéphane; Wang, Zhen-Gang

    2012-08-07

    We propose a density-functional theory (DFT) describing inhomogeneous polymer-carbon dioxide mixtures based on a perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS). The weight density functions from fundamental measure theory are used to extend the bulk excess Helmholtz free energy to the inhomogeneous case. The additional long-range dispersion contributions are included using a mean-field approach. We apply our DFT to the interfacial properties of polystyrene-CO(2) and poly(methyl methacrylate) CO(2) systems. Calculated values for both solubility and interfacial tension are in good agreement with experimental data. In comparison with our earlier DFT based on the Peng-Robinson-SAFT EOS, the current DFT produces quantitatively superior agreement with experimental data and is free of the unphysical behavior at high pressures (>35 MPa) in the earlier theory.

  6. Polymers.

    ERIC Educational Resources Information Center

    Tucker, David C.

    1986-01-01

    Presents an open-ended experiment which has students exploring polymer chemistry and reverse osmosis. This activity involves construction of a polymer membrane, use of it in a simple osmosis experiment, and application of its principles in solving a science-technology-society problem. (ML)

  7. Polymers.

    ERIC Educational Resources Information Center

    Tucker, David C.

    1986-01-01

    Presents an open-ended experiment which has students exploring polymer chemistry and reverse osmosis. This activity involves construction of a polymer membrane, use of it in a simple osmosis experiment, and application of its principles in solving a science-technology-society problem. (ML)

  8. Coupled flow-polymer dynamics via statistical field theory: Modeling and computation

    SciTech Connect

    Ceniceros, Hector D. Fredrickson, Glenn H. Mohler, George O.

    2009-03-20

    Field-theoretic models, which replace interactions between polymers with interactions between polymers and one or more conjugate fields, offer a systematic framework for coarse-graining of complex fluids systems. While this approach has been used successfully to investigate a wide range of polymer formulations at equilibrium, field-theoretic models often fail to accurately capture the non-equilibrium behavior of polymers, especially in the early stages of phase separation. Here the 'two-fluid' approach serves as a useful alternative, treating the motions of fluid components separately in order to incorporate asymmetries between polymer molecules. In this work we focus on the connection of these two theories, drawing upon the strengths of each of the approaches in order to couple polymer microstructure with the dynamics of the flow in a systematic way. For illustrative purposes we work with an inhomogeneous melt of elastic dumbbell polymers, though our methodology will apply more generally to a wide variety of inhomogeneous systems. First we derive the model, incorporating thermodynamic forces into a two-fluid model for the flow through the introduction of conjugate chemical potential and elastic strain fields for the polymer density and stress. The resulting equations are composed of a system of fourth order PDEs coupled with a non-linear, non-local optimization problem to determine the conjugate fields. The coupled system is severely stiff and with a high degree of computational complexity. Next, we overcome the formidable numerical challenges posed by the model by designing a robust semi-implicit method based on linear asymptotic behavior of the leading order terms at small scales, by exploiting the exponential structure of global (integral) operators, and by parallelizing the non-linear optimization problem. The semi-implicit method effectively removes the fourth order stability constraint associated with explicit methods and we observe only a first order time

  9. Theory of DNA electrophoresis in physical gels and entangled polymer solutions

    NASA Astrophysics Data System (ADS)

    Duke, Thomas; Viovy, Jean Louis

    1994-03-01

    A scaling theory is presented for the electrophoretic mobility of DNA in sieving media that form dynamically evolving meshworks, such as physical gels and solutions of entangled polymers. In such media, the topological constraints on the DNA's motion are perpetually changing as cross links break and rejoin or as the polymers diffuse. It is shown that if the rate of constraint release falls within a certain range (which depends on the field strength), fractionation can be extended to higher molecular weights than would be feasible using a permanent gel of equivalent pore size. This improvement is a consequence of the disruptive effect that constraint release has on the mechanism of molecular orientation. Numerical simulations support the predictions of the theory. The possibility of realizing such a system in practice, with the aim of improving on current electrophoresis methods, is commented upon. It is suggested that semidilute polymer solutions may be a versatile medium for the rapid separation of long single-stranded DNA molecules, and the particular quality of solution required is identified.

  10. Fluid-fluid coexistence in an athermal colloid-polymer mixture: thermodynamic perturbation theory and continuum molecular-dynamics simulation

    NASA Astrophysics Data System (ADS)

    Jover, Julio; Galindo, Amparo; Jackson, George; Müller, Erich A.; Haslam, Andrew J.

    2015-09-01

    Using both theory and continuum simulation, we examine a system comprising a mixture of polymer chains formed from 100 hard-sphere (HS) segments and HS colloids with a diameter which is 20 times that of the polymer segments. According to Wertheim's first-order thermodynamic perturbation theory (TPT1) this athermal system is expected to phase separate into a colloid-rich and a polymer-rich phase. Using a previously developed continuous pseudo-HS potential [J. F. Jover, A. J. Haslam, A. Galindo, G. Jackson, and E. A. Muller, J. Chem. Phys. 137, 144505 (2012)], we simulate the system at a phase point indicated by the theory to be well within the two-phase binodal region. Molecular-dynamics simulations are performed from starting configurations corresponding to completely phase-separated and completely pre-mixed colloids and polymers. Clear evidence is seen of the stabilisation of two coexisting fluid phases in both cases. An analysis of the interfacial tension of the phase-separated regions is made; ultra-low tensions are observed in line with previous values determined with square-gradient theory and experiment for colloid-polymer systems. Further simulations are carried out to examine the nature of these coexisting phases, taking as input the densities and compositions calculated using TPT1 (and corresponding to the peaks in the probability distribution of the density profiles obtained in the simulations). The polymer chains are seen to be fully penetrable by other polymers. By contrast, from the point of view of the colloids, the polymers behave (on average) as almost-impenetrable spheres. It is demonstrated that, while the average interaction between the polymer molecules in the polymer-rich phase is (as expected) soft-repulsive in nature, the corresponding interaction in the colloid-rich phase is of an entirely different form, characterised by a region of effective intermolecular attraction.

  11. Shock compression of glow discharge polymer (GDP): density functional theory (DFT) simulations and experiments on Sandia's Z-machine

    NASA Astrophysics Data System (ADS)

    Mattsson, Thomas R.; Cochrane, K. R.; Ao, T.; Lemke, R. W.; Flicker, D. G.; Schoff, M. E.; Blue, B. E.; Hamel, S.; Herrmann, M. C.

    2015-11-01

    Glow discharge polymer (GDP) is used extensively as capsule/ablation material in inertial confinement fusion (ICF) capsules. Accurate knowledge of the equation of state (EOS) under shock and release is particularly important for high-fidelity design, analysis, and optimization of ICF experiments since the capsule material is subject to several converging shocks as well as release towards the cryogenic fuel. We performed Density Functional Theory (DFT) based quantum molecular dynamics (QMD) simulations, to gain knowledge of the behavior of GDP - including the effect of changes in chemical composition. The shock pressures calculated from DFT are compared experimental data taken on magnetically launched flyer plate impact experiments on at Sandia's Z-machine. Large GDP samples were grown in a planar geometry to improve the sample quality and maintained in a nitrogen atmosphere following manufacturing, thus allowing for a direct comparison to the DFT/QMD simulations. Sandia National Laboratories is a multi program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's NNSA under contract DE-AC04-94AL85000.

  12. Shock compression of glow discharge polymer (GDP): density functional theory (DFT) simulations and experiments on Sandia's Z-machine

    NASA Astrophysics Data System (ADS)

    Cochrane, K. R.; Ao, T.; Hamel, S.; Lemke, R. W.; Schoff, M. E.; Blue, B. E.; Herrmann, M. C.; Mattsson, T. R.

    2015-06-01

    Glow discharge polymer (GDP) is used extensively in inertial confinement fusion (ICF) capsules. Accurate knowledge of the equation of state (EOS) under shock and release is particularly important for high-fidelity design and analysis of ICF experiments since the capsule material is subject to several converging shocks as well as release towards the cryogenic fuel. We performed Density Functional Theory (DFT) based molecular dynamics simulations, to gain knowledge of the behavior of GDP - for example regarding the role of chemical dissociation during shock compression, we find that the dissociation regime along the Hugoniot extends from 50 GPa to 250 GPa. The shock pressures calculated from DFT are compared to experimental data taken on magnetically launched flyer plate impact experiments at Sandia's Z-machine. Large GDP samples were grown in a planar geometry to improve the sample quality and maintained in a nitrogen atmosphere following manufacturing, thus allowing for a direct comparison to the simulations. Sandia National Laboratories is a multi program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's NNSA under Contract DE-AC04-94AL85000

  13. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications

    DOE PAGES

    Suleimanov, Yury V.; Aoiz, F. Javier; Guo, Hua

    2016-09-14

    This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques formore » calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.« less

  14. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications.

    PubMed

    Suleimanov, Yury V; Aoiz, F Javier; Guo, Hua

    2016-11-03

    This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques for calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.

  15. Theory of Transport of Long Polymer Molecules through Carbon Nanotube Channels

    NASA Technical Reports Server (NTRS)

    Wei, Chenyu; Srivastava, Deepak

    2003-01-01

    A theory of transport of long chain polymer molecules through carbon nanotube (CNT) channels is developed using Fokker-Planck equation and direct molecular dynamics (MD) simulations. The mean transport or translocation time tau is found to depend on the chemical potential energy, entropy and diffusion coefficient. A power law dependence tau approx. N(sup 2)is found where N is number of monomers in a molecule. For 10(exp 5)-unit long polyethylene molecules, tau is estimated to be approx. 1micro-s. The diffusion coefficient of long polymer molecules inside CNTs, like that of short ones, are found to be few orders of magnitude larger than in ordinary silicate based zeolite systems.

  16. Real time polymer nanocomposites-based physical nanosensors: theory and modeling.

    PubMed

    Bellucci, Stefano; Shunin, Yuri; Gopeyenko, Victor; Lobanova-Shunina, Tamara; Burlutskaya, Nataly; Zhukovskii, Yuri

    2017-09-01

    Functionalized carbon nanotubes and graphene nanoribbons nanostructures, serving as the basis for the creation of physical pressure and temperature nanosensors, are considered as tools for ecological monitoring and medical applications. Fragments of nanocarbon inclusions with different morphologies, presenting a disordered system, are regarded as models for nanocomposite materials based on carbon nanoсluster suspension in dielectric polymer environments (e.g., epoxy resins). We have formulated the approach of conductivity calculations for carbon-based polymer nanocomposites using the effective media cluster approach, disordered systems theory and conductivity mechanisms analysis, and obtained the calibration dependences. Providing a proper description of electric responses in nanosensoring systems, we demonstrate the implementation of advanced simulation models suitable for real time control nanosystems. We also consider the prospects and prototypes of the proposed physical nanosensor models providing the comparisons with experimental calibration dependences.

  17. Real time polymer nanocomposites-based physical nanosensors: theory and modeling

    NASA Astrophysics Data System (ADS)

    Bellucci, Stefano; Shunin, Yuri; Gopeyenko, Victor; Lobanova-Shunina, Tamara; Burlutskaya, Nataly; Zhukovskii, Yuri

    2017-09-01

    Functionalized carbon nanotubes and graphene nanoribbons nanostructures, serving as the basis for the creation of physical pressure and temperature nanosensors, are considered as tools for ecological monitoring and medical applications. Fragments of nanocarbon inclusions with different morphologies, presenting a disordered system, are regarded as models for nanocomposite materials based on carbon nanoсluster suspension in dielectric polymer environments (e.g., epoxy resins). We have formulated the approach of conductivity calculations for carbon-based polymer nanocomposites using the effective media cluster approach, disordered systems theory and conductivity mechanisms analysis, and obtained the calibration dependences. Providing a proper description of electric responses in nanosensoring systems, we demonstrate the implementation of advanced simulation models suitable for real time control nanosystems. We also consider the prospects and prototypes of the proposed physical nanosensor models providing the comparisons with experimental calibration dependences.

  18. Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media.

    PubMed

    Sung, Bong June; Yethiraj, Arun

    2005-08-15

    The conformational properties and static structure of freely jointed hard-sphere chains in matrices composed of stationary hard spheres are studied using Monte Carlo simulations and integral equation theory. The simulations show that the chain size is a nonmonotonic function of the matrix density when the matrix spheres are the same size as the monomers. When the matrix spheres are of the order of the chain size the chain size decreases monotonically with increasing matrix volume fraction. The simulations are used to test the replica-symmetric polymer reference interaction site model (RSP) integral equation theory. When the simulation results for the intramolecular correlation functions are input into the theory, the agreement between theoretical predictions and simulation results for the pair-correlation functions is quantitative only at the highest fluid volume fractions and for small matrix sphere sizes. The RSP theory is also implemented in a self-consistent fashion, i.e., the intramolecular and intermolecular correlation functions are calculated self-consistently by combining a field theory with the integral equations. The theory captures qualitative trends observed in the simulations, such as the nonmonotonic dependence of the chain size on media fraction.

  19. Prediction of Excitation Energies for Conjugated Oligomers and Polymers from Time-Dependent Density Functional Theory

    PubMed Central

    Tao, Jianmin; Tretiak, Sergei; Zhu, Jian-Xin

    2010-01-01

    With technological advances, light-emitting conjugated oligomers and polymers have become competitive candidates in the commercial market of light-emitting diodes for display and other technologies, due to the ultralow cost, light weight, and flexibility. Prediction of excitation energies of these systems plays a crucial role in the understanding of their optical properties and device design. In this review article, we discuss the calculation of excitation energies with time-dependent density functional theory, which is one of the most successful methods in the investigation of the dynamical response of molecular systems to external perturbation, owing to its high computational efficiency.

  20. Theory of nematic systems of semiflexible polymers. III. Phase equilibria in solutions

    NASA Astrophysics Data System (ADS)

    Ronca, G.; Yoon, D. Y.

    1985-07-01

    Biphasic equilibria of lyotropic solutions of semiflexible polymers are calculated using the worm-like chain model with limiting curvature. The threshold concentration at incipient phase separation varies gradually with molecular weight to reach a finite value at infinite chain length. This limiting concentration is found to depend on the axial ratio of the persistence length and on the temperature. The theory is then applied specifically to poly(n-hexyl isocyanate) (PHIC) solutions. Deriving the configurational parameters from measurements on chain dimensions in dilute solutions, theoretical calculations are found to satisfactorily match recent experimental results on the molecular weight dependence of the threshold concentration of PHIC in toluene.

  1. Application of graph theory to the statistical thermodynamics of lattice polymers. I. Elements of theory and test for dimers

    NASA Astrophysics Data System (ADS)

    Brazhnik, Olga D.; Freed, Karl F.

    1996-07-01

    The lattice cluster theory (LCT) is extended to enable inclusion of longer range correlation contributions to the partition function of lattice model polymers in the athermal limit. A diagrammatic technique represents the expansion of the partition function in powers of the inverse lattice coordination number. Graph theory is applied to sort, classify, and evaluate the numerous diagrams appearing in higher orders. New general theorems are proven that provide a significant reduction in the computational labor required to evaluate the contributions from higher order correlations. The new algorithm efficiently generates the correction to the Flory mean field approximation from as many as eight sterically interacting bonds. While the new results contain the essential ingredients for treating a system of flexible chains with arbitrary lengths and concentrations, the complexity of our new algorithm motivates us to test the theory here for the simplest case of a system of lattice dimers by comparison to the dimer packing entropies from the work of Gaunt. This comparison demonstrates that the eight bond LCT is exact through order φ5 for dimers in one through three dimensions, where φ is the volume fraction of dimers. A subsequent work will use the contracted diagrams, derived and tested here, to treat the packing entropy for a system of flexible N-mers at a volume fraction of φ on hypercubic lattices.

  2. A polymer microgel at a liquid-liquid interface: theory vs. computer simulations.

    PubMed

    Rumyantsev, Artem M; Gumerov, Rustam A; Potemkin, Igor I

    2016-08-10

    We propose a mean-field theory and dissipative particle dynamics (DPD) simulations of swelling and collapse of a polymer microgel adsorbed at the interface of two immiscible liquids (A and B). The microgel reveals surface activity and lowers A-B interfacial tension. Attempting to occupy as large an interfacial area as possible, the microgel undergoes anisotropic deformation and adopts a flattened shape. Spreading over the interface is restricted by polymer subchain elasticity. The equilibrium shape of the microgel at the interface depends on its size. Small microgels are shown to be more oblate than the larger microgels. Increasing microgel cross-link density results in stronger reduction of the surface tension and weaker flattening. As the degree of immiscibility of A and B liquids increases, the microgel volume changes in a non-monotonous fashion: the microgel contraction at moderate immiscibility of A and B liquids is followed by its swelling at high incompatibility of the liquids. The segregation regime of the liquids within and outside the microgel is different. Being segregated outside the microgel, the liquids can be fully (homogeneously) mixed or weakly segregated within it. The density profiles of the liquids and the polymer were plotted under different conditions. The theoretical and the DPD simulation results are in good agreement. We hope that our findings will be useful for the design of stimuli responsive emulsions, which are stabilized by the microgel particles, as well as for their practical applications, for instance, in biocatalysis.

  3. Application of the strain invariant failure theory (SIFT) to metals and fiber-polymer composites

    NASA Astrophysics Data System (ADS)

    Hart-Smith, L. J.

    2010-11-01

    The strain invariant failure theory (SIFT) model, developed to predict the onset of irreversible damage of fiber-polymer composite laminates, may be also applied to metals. Indeed, it can be applied to all solid materials. Two initial failure mechanisms are considered - distortion and dilatation. The author's experiences are confined to the structures of transport aircraft; phase changes in metals and self-destruction of laminates during curing are not covered. Doing so would need additional material properties, and probably a different failure theory. SIFT does not cover environmental attack on the interface between fibers and resin; it covers only cohesive failures within the fibers or resin, or within a homogeneous piece of metal. In the SIFT model, each damage mechanism is characterized by its own critical value of a strain invariant. Each mechanism dominates its own portion of the strain domain; there is no interaction between them. Application of SIFT to metals is explained first. Fiber-polymer composites contain two discrete constituents; each material must be characterized independently by its own two invariants. This is why fiber-polymer composites need four invariants whereas metals require only two. There is no such thing as a composite material, only composites of materials. The "composite materials" must not be modeled as homogeneous anisotropic solids because it is then not even possible to differentiate between fiber and matrix failures. The SIFT model uses measured material properties; it does not require that half of them be arbitrarily replaced by unmeasurable properties to fit laminate test data, as so many earlier composite failure criteria have. The biggest difference in using SIFT for metals and fiber-reinforced materials is internal residual thermal and moisture absorption stresses created by the gross dissimilarity in properties between embedded fibers and thermoset resin matrices. These residual stresses consume so much of the strength of

  4. Relationships among coarse-grained field theories of fluctuations in polymer liquids.

    PubMed

    Morse, David C; Qin, Jian

    2011-02-28

    Two closely related field-theoretic approaches have been used in previous work to construct coarse-grained theories of corrections to the random phase approximation for correlations in block copolymer melts and miscible polymer blends. The "auxiliary field" (AF) approach is based on a rigorous expression for the partition function Z of a coarse-grained model as a functional integral of an auxiliary chemical potential field. The "effective Hamiltonian" (EH) approach is instead based on an expression for Z as a functional integral of an observable order parameter field. The exact effective Hamiltonian H(eff) in the EH approach is defined as the free energy of a system with a constrained order parameter field. In practice, however, H(eff) has often been approximated by a mean-field free energy functional, yielding what we call a mean-field effective Hamiltonian (MFEH) approximation. This approximation was the starting point of both the Fredrickson-Helfand analysis of fluctuation effects in diblock copolymers and earlier work on the Ginzburg criterion in polymer blends. A more rigorous EH approach by Holyst and Vilgis used an auxiliary field representation of the exact H(eff) and allowed for Gaussian fluctuations of this field. All applications of both AF and EH approaches have thus far relied upon some form of Gaussian, or "one-loop" approximation for fluctuations of a chemical potential and/or order parameter field about a mean-field saddle-point. The one-loop EH approximation of Holyst and Vilgis and the one-loop AF theory are equivalent to one another, but not to the one-loop MFEH theory. The one-loop AF and MFEH theories are shown to yield predictions for the inverse structure factor S(-1)(q) that (in the absence of further approximations to either theory) differ by a function that is independent of the Flory-Huggins interaction parameter χ. As a result, these theories yield predictions for the peak scattering intensity that exhibit a similar χ-dependence near a

  5. Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory

    SciTech Connect

    Xu, Wen-Sheng; Freed, Karl F.

    2015-07-14

    The lattice cluster theory (LCT) for the thermodynamics of polymer systems has recently been reformulated to treat strongly interacting self-assembling polymers composed of fully flexible linear telechelic chains [J. Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)]. Here, we further extend the LCT for linear telechelic polymer melts to include a description of chain semiflexibility, which is treated by introducing a bending energy penalty whenever a pair of consecutive bonds from a single chain lies along orthogonal directions. An analytical expression for the Helmholtz free energy is derived for the model of semiflexible linear telechelic polymer melts. The extension provides a theoretical tool for investigating the influence of chain stiffness on the thermodynamics of self-assembling telechelic polymers, and for further exploring the influence of self-assembly on glass formation in such systems.

  6. Relationship between industrial discharges and contamination of raw water resources by perfluorinated compounds: part II: Case study of a fluorotelomer polymer manufacturing plant.

    PubMed

    Dauchy, Xavier; Boiteux, Virginie; Rosin, Christophe; Munoz, Jean-François

    2012-09-01

    In this study, the concentrations of 10 perfluorinated compounds (PFCs) were measured in effluents of a fluorotelomer polymer manufacturing plant and its wastewater treatment plant. A 50-fold increase between the two effluents mass flows was observed. The water quality of two drinking water treatment plants located downstream at 15 and 25 km from the manufacturing plant was examined. An increase of the sum of PFCs was observed between the river (30 ng/L) and an alluvial well (70 ng/L), and between the raw water (9 ng/L) and the outlet of a biological treatment (97 ng/L). These results indicate a possible degradation of fluorotelomers, occurring during wastewater treatment, sediment infiltration in the alluvial aquifer, and drinking water treatment.

  7. Excluded volume effects in compressed polymer brushes: A density functional theory

    NASA Astrophysics Data System (ADS)

    Chen, Cangyi; Tang, Ping; Qiu, Feng; Shi, An-Chang

    2015-03-01

    A classical density functional theory (DFT) is applied to investigate the behavior of compressed polymer brushes composed of hard-sphere chains. The excluded volume interactions among the chain segments are explicitly treated. Two compression systems are used to study the behavior of brush-wall and brush-brush interactions. For the brush-brush systems, an obvious interpenetration zone has been observed. The extent of the interpenetration depends strongly on the grafting density. Furthermore, the repulsive force between the brush and wall or between the two brushes has been obtained as a function of the compression distance. Compared to the prediction of the analytic self-consistent field theory, such force increases more rapidly in the brush-wall compression with high polymer grafting densities or at higher compressions. In the brush-brush compression system, the interpenetration between the two compressed brushes creates a "softer" interaction. The influence of hard-sphere solvents on the behavior of compressed brushes is also discussed.

  8. Excluded volume effects in compressed polymer brushes: A density functional theory

    SciTech Connect

    Chen, Cangyi; Tang, Ping E-mail: fengqiu@fudan.edu.cn; Qiu, Feng E-mail: fengqiu@fudan.edu.cn; Shi, An-Chang

    2015-03-28

    A classical density functional theory (DFT) is applied to investigate the behavior of compressed polymer brushes composed of hard-sphere chains. The excluded volume interactions among the chain segments are explicitly treated. Two compression systems are used to study the behavior of brush-wall and brush-brush interactions. For the brush-brush systems, an obvious interpenetration zone has been observed. The extent of the interpenetration depends strongly on the grafting density. Furthermore, the repulsive force between the brush and wall or between the two brushes has been obtained as a function of the compression distance. Compared to the prediction of the analytic self-consistent field theory, such force increases more rapidly in the brush-wall compression with high polymer grafting densities or at higher compressions. In the brush-brush compression system, the interpenetration between the two compressed brushes creates a “softer” interaction. The influence of hard-sphere solvents on the behavior of compressed brushes is also discussed.

  9. Theory of polymer translocation through a flickering nanopore under an alternating driving force.

    PubMed

    Sarabadani, Jalal; Ikonen, Timo; Ala-Nissila, Tapio

    2015-08-21

    We develop a theory for polymer translocation driven by a time-dependent force through an oscillating nanopore. To this end, we extend the iso-flux tension propagation theory [Sarabadani et al., J. Chem. Phys. 141, 214907 (2014)] for such a setup. We assume that the external driving force in the pore has a component oscillating in time, and the flickering pore is similarly described by an oscillating term in the pore friction. In addition to numerically solving the model, we derive analytical approximations that are in good agreement with the numerical simulations. Our results show that by controlling either the force or pore oscillations, the translocation process can be either sped up or slowed down depending on the frequency of the oscillations and the characteristic time scale of the process. We also show that while in the low and high frequency limits, the translocation time τ follows the established scaling relation with respect to chain length N0, in the intermediate frequency regime small periodic, fluctuations can have drastic effects on the dynamical scaling. The results can be easily generalized for non-periodic oscillations and elucidate the role of time dependent forces and pore oscillations in driven polymer translocation.

  10. Theory of aging, rejuvenation, and the nonequilibrium steady state in deformed polymer glasses.

    PubMed

    Chen, Kang; Schweizer, Kenneth S

    2010-10-01

    The nonlinear Langevin equation theory of segmental relaxation, elasticity, and mechanical response of polymer glasses is extended to describe the coupled effects of physical aging, mechanical rejuvenation, and thermal history. The key structural variable is the amplitude of density fluctuations, and segmental dynamics proceeds via stress-modified activated barrier hopping on a dynamic free-energy profile. Mechanically generated disorder (rejuvenation) is quantified by a dissipative work argument and increases the amplitude of density fluctuations, thereby speeding up relaxation beyond that induced by the landscape tilting mechanism. The theory makes testable predictions for the time evolution and nonequilibrium steady state of the alpha relaxation time, density fluctuation amplitude, elastic modulus, and other properties. Model calculations reveal a rich dependence of these quantities on preaging time, applied stress, and temperature that reflects the highly nonlinear competition between physical aging and mechanical disordering. Thermal history is "erased" in the long-time limit, although the nonequilibrium steady state is not the literal "fully rejuvenated" freshly quenched glass. The present work provides the conceptual foundation for a quantitative treatment of the nonlinear mechanical response of polymer glasses under a variety of deformation protocols.

  11. Ring polymer chains confined in a slit geometry of two parallel walls: the massive field theory approach

    NASA Astrophysics Data System (ADS)

    Usatenko, Z.; Halun, J.

    2017-01-01

    The investigation of a dilute solution of phantom ideal ring polymer chains confined in a slit geometry of two parallel repulsive walls, two inert walls, and for the mixed case of one inert and the other one repulsive wall, was performed. Taking into account the well known correspondence between the field theoretical {φ4} O(n)-vector model in the limit n\\to 0 and the behaviour of long-flexible polymer chains in a good solvent, the investigation of a dilute solution of long-flexible ring polymer chains with the excluded volume interaction (EVI) confined in a slit geometry of two parallel repulsive walls was performed in the framework of the massive field theory approach at fixed space dimensions d  =  3 up to one-loop order. For all the above mentioned cases, the correspondent depletion interaction potentials, the depletion forces and the forces which exert the phantom ideal ring polymers and the ring polymers with the EVI on the walls were calculated, respectively. The obtained results indicate that the phantom ideal ring polymer chains and the ring polymer chains with the EVI due to the complexity of chain topology and because of the entropical reason demonstrate completely different behaviour in confined geometries than linear polymer chains. For example, the phantom ideal ring polymers prefer to escape from the space not only between two repulsive walls but also in the case of two inert walls, which leads to the attractive depletion forces. The ring polymer chains with less complex knot types (with the bigger radius of gyration) in a ring topology in the wide slit region exert higher forces on the confining repulsive walls. The depletion force in the case of mixed boundary conditions becomes repulsive in contrast to the case of linear polymer chains.

  12. Theory and practice for the manufacture of a composite thermal heat shield for a space ship

    NASA Astrophysics Data System (ADS)

    Tarasov, V. A.; Komkov, M. A.; Romanenkov, V. A.; Alyamovsky, A. I.; Kopyl, N. I.; Boyarskaya, R. V.

    2016-10-01

    The technological processes were explored for the manufacture in an autoclave of a space ship heat shield. A mathematical model was created for the determination of the duration of the impregnation of the binder for the composite material. The change in the Nitrogen content is dependent on the time in the autoclave. This dependence relates to the use of the minimum amount of electricity to reduce the expense of the process in practice.

  13. High-temperature viscoelastic creep constitutive equations for polymer composites: Homogenization theory and experiments

    SciTech Connect

    Skontorp, A.; Wang, S.S.; Shibuya, Y.

    1994-12-31

    In this paper, a homogenization theory is developed to determine high-temperature effective viscoelastic constitutive equations for fiber-reinforced polymer composites. The homogenization theory approximates the microstructure of a fiber composite, and determine simultaneously effective macroscopic constitutive properties of the composite and the associated microscopic strain and stress in the heterogeneous material. The time-temperature dependent homogenization theory requires that the viscoelastic constituent properties of the matrix phase at elevated temperatures, the governing equations for the composites, and the boundary conditions of the problem be Laplace transformed to a conjugate problem. The homogenized effective properties in the transformed domain are determined, using a two-scale asymptotic expansion of field variables and an averaging procedure. Field solutions in the unit cell are determined from basic and first-order governing equations with the aid of a boundary integral method (BIM). Effective viscoelastic constitutive properties of the composite at elevated temperatures are determined by an inverse transformation, as are the microscopic stress and deformation in the composite. Using this method, interactions among fibers and between the fibers and the matrix can be evaluated explicitly, resulting in accurate solutions for composites with high-volume fraction of reinforcing fibers. Examples are given for the case of a carbon-fiber reinforced thermoplastic polyamide composite in an elevated temperature environment. The homogenization predictions are in good agreement with experimental data available for the composite.

  14. How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory.

    PubMed

    Mondal, Jagannath; Halverson, Duncan; Li, Isaac T S; Stirnemann, Guillaume; Walker, Gilbert C; Berne, Bruce J

    2015-07-28

    It is currently the consensus belief that protective osmolytes such as trimethylamine N-oxide (TMAO) favor protein folding by being excluded from the vicinity of a protein, whereas denaturing osmolytes such as urea lead to protein unfolding by strongly binding to the surface. Despite there being consensus on how TMAO and urea affect proteins as a whole, very little is known as to their effects on the individual mechanisms responsible for protein structure formation, especially hydrophobic association. In the present study, we use single-molecule atomic force microscopy and molecular dynamics simulations to investigate the effects of TMAO and urea on the unfolding of the hydrophobic homopolymer polystyrene. Incorporated with interfacial energy measurements, our results show that TMAO and urea act on polystyrene as a protectant and a denaturant, respectively, while complying with Tanford-Wyman preferential binding theory. We provide a molecular explanation suggesting that TMAO molecules have a greater thermodynamic binding affinity with the collapsed conformation of polystyrene than with the extended conformation, while the reverse is true for urea molecules. Results presented here from both experiment and simulation are in line with earlier predictions on a model Lennard-Jones polymer while also demonstrating the distinction in the mechanism of osmolyte action between protein and hydrophobic polymer. This marks, to our knowledge, the first experimental observation of TMAO-induced hydrophobic collapse in a ternary aqueous system.

  15. Entropy Theory of Polymer Glass-Formation in Variable Spatial Dimension

    NASA Astrophysics Data System (ADS)

    Xu, Wen-Sheng; Douglas, Jack; Freed, Karl

    The importance of packing frustration is broadly appreciated to be an important aspect of glass-formation. Recently, great interest has focused on using spatial dimensionality () as a theoretical tool for exploring this and other aspects of glass-forming liquids. We explore glass-formation in variable based on the generalized entropy theory, a synthesis of the Adam-Gibbs model with direct computation of the configurational entropy of polymer fluids using an established analytical statistical thermodynamic model. We find that structural relaxation in the fluid state asymptotically becomes Arrhenius in the limit and that the fluid transforms upon sufficient cooling above a critical dimension near into a dense amorphous state with a finite positive residual configurational entropy. The GET also predicts the variation with of measures of fragility and of the characteristic temperatures of glass-formation demarking the onset , middle , and end , of the broad glass transition. Direct computations of the isothermal compressibility and thermal expansion coefficient, which are physical measures of packing frustration, demonstrate that these fluid properties strongly correlate with the fragility of glass-formation. Back to three dimensions, we deduce apparently universal relationships between , a measure of the breadth of the glass-formation and both the isothermal compressibility and thermal expansion coefficient of polymer melts at .

  16. Microscopic Theory for Entangled Polymer Dynamics in Rod-Sphere Nanocomposites

    NASA Astrophysics Data System (ADS)

    Yamamoto, Umi; Schweizer, Kenneth

    2014-03-01

    We have developed a self-consistent microscopic theory for the long-time dynamics of needles in an array of static spherical fillers. The approach exactly enforces the dynamical two-body rod topological uncrossability and sphere impenetrability constraints, leading to a generalized concept of entanglements that includes the filler excluded volume effect. How the diffusion anisotropy (transverse versus longitudinal motion) depends on the filler-needle aspect ratio, polymer concentration, and filler volume fraction is established. Due to the steric blocking of the longitudinal reptative motion by obstacles, a literal localization transition is predicted that is generically controlled by the ratio of filler diameter to the pure polymer tube diameter or needle length. For a window of filler sizes and loadings, the needle is predicted to diffuse via a ``renormalized'' reptation dynamics where the tube is compressed and the longitudinal motion is retarded in a manner that depends on all system variables. At high filler volume fractions the needle diffusivity is strongly suppressed, and localization ultimately occurs in the unentangled needle regime. Generalization of the approach to treat mobile fillers, flexible chains, and nonrandom microstructure is also possible.

  17. A finite element approach to self-consistent field theory calculations of multiblock polymers

    NASA Astrophysics Data System (ADS)

    Ackerman, David M.; Delaney, Kris; Fredrickson, Glenn H.; Ganapathysubramanian, Baskar

    2017-02-01

    Self-consistent field theory (SCFT) has proven to be a powerful tool for modeling equilibrium microstructures of soft materials, particularly for multiblock polymers. A very successful approach to numerically solving the SCFT set of equations is based on using a spectral approach. While widely successful, this approach has limitations especially in the context of current technologically relevant applications. These limitations include non-trivial approaches for modeling complex geometries, difficulties in extending to non-periodic domains, as well as non-trivial extensions for spatial adaptivity. As a viable alternative to spectral schemes, we develop a finite element formulation of the SCFT paradigm for calculating equilibrium polymer morphologies. We discuss the formulation and address implementation challenges that ensure accuracy and efficiency. We explore higher order chain contour steppers that are efficiently implemented with Richardson Extrapolation. This approach is highly scalable and suitable for systems with arbitrary shapes. We show spatial and temporal convergence and illustrate scaling on up to 2048 cores. Finally, we illustrate confinement effects for selected complex geometries. This has implications for materials design for nanoscale applications where dimensions are such that equilibrium morphologies dramatically differ from the bulk phases.

  18. How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory

    PubMed Central

    Mondal, Jagannath; Halverson, Duncan; Li, Isaac T. S.; Stirnemann, Guillaume; Walker, Gilbert C.; Berne, Bruce J.

    2015-01-01

    It is currently the consensus belief that protective osmolytes such as trimethylamine N-oxide (TMAO) favor protein folding by being excluded from the vicinity of a protein, whereas denaturing osmolytes such as urea lead to protein unfolding by strongly binding to the surface. Despite there being consensus on how TMAO and urea affect proteins as a whole, very little is known as to their effects on the individual mechanisms responsible for protein structure formation, especially hydrophobic association. In the present study, we use single-molecule atomic force microscopy and molecular dynamics simulations to investigate the effects of TMAO and urea on the unfolding of the hydrophobic homopolymer polystyrene. Incorporated with interfacial energy measurements, our results show that TMAO and urea act on polystyrene as a protectant and a denaturant, respectively, while complying with Tanford–Wyman preferential binding theory. We provide a molecular explanation suggesting that TMAO molecules have a greater thermodynamic binding affinity with the collapsed conformation of polystyrene than with the extended conformation, while the reverse is true for urea molecules. Results presented here from both experiment and simulation are in line with earlier predictions on a model Lennard–Jones polymer while also demonstrating the distinction in the mechanism of osmolyte action between protein and hydrophobic polymer. This marks, to our knowledge, the first experimental observation of TMAO-induced hydrophobic collapse in a ternary aqueous system. PMID:26170324

  19. Understanding disordered and unfolded proteins using single-molecule FRET and polymer theory

    NASA Astrophysics Data System (ADS)

    Hofmann, Hagen

    2016-12-01

    Understanding protein folding and the functional properties of intrinsically disordered proteins (IDPs) requires detailed knowledge of the forces that act in polypeptide chains. These forces determine the dimensions and dynamics of unfolded and disordered proteins and have been suggested to impact processes such as the coupled binding and folding of IDPs, or the rate of protein folding reactions. Much of the progress in understanding the physical and chemical properties of unfolded and intrinsically disordered polypeptide chains has been made possible by the recent developments in single-molecule fluorescence techniques. However, the interpretation of the experimental results requires concepts from polymer physics in order to be understood. Here, I review some of the theories used to describe the dimensions of unfolded polypeptide chains under varying solvent conditions together with their more recent application to experimental data.

  20. A constitutive theory for shape memory polymers: coupling of small and large deformation

    NASA Astrophysics Data System (ADS)

    Tan, Qiao; Liu, Liwu; Liu, Yanju; Leng, Jinsong; Yan, Xiangqiao; Wang, Haifang

    2013-04-01

    At high temperatures, SMPs share attributes like rubber and exhibit long-range reversibility. In contrast, at low temperatures they become very rigid and are susceptible to plastic, only small strains are allowable. But there relatively little literature has considered the unique small stain (rubber phase) and large stain (glass phase) coupling in SMPs when developing the constitutive modeling. In this work, we present a 3D constitutive model for shape memory polymers in both low temperature small strain regime and high temperature large strain regime. The theory is based on the work of Liu et al. [15]. Four steps of SMP's thermomechanical loadings cycle are considered in the constitutive model completely. The linear elastic and hyperelastic effects of SMP in different temperatures are also fully accounted for in the proposed model by adopt the neo-Hookean model and the Generalized Hooke's laws.

  1. Diagrammatic analysis of correlations in polymer fluids: Cluster diagrams via Edwards’ field theory

    NASA Astrophysics Data System (ADS)

    Morse, David C.

    2006-10-01

    Edwards' functional integral approach to the statistical mechanics of polymer liquids is amenable to a diagrammatic analysis in which free energies and correlation functions are expanded as infinite sums of Feynman diagrams. This analysis is shown to lead naturally to a perturbative cluster expansion that is closely related to the Mayer cluster expansion developed for molecular liquids by Chandler and co-workers. Expansion of the functional integral representation of the grand-canonical partition function yields a perturbation theory in which all quantities of interest are expressed as functionals of a monomer-monomer pair potential, as functionals of intramolecular correlation functions of non-interacting molecules, and as functions of molecular activities. In different variants of the theory, the pair potential may be either a bare or a screened potential. A series of topological reductions yields a renormalized diagrammatic expansion in which collective correlation functions are instead expressed diagrammatically as functionals of the true single-molecule correlation functions in the interacting fluid, and as functions of molecular number density. Similar renormalized expansions are also obtained for a collective Ornstein-Zernicke direct correlation function, and for intramolecular correlation functions. A concise discussion is given of the corresponding Mayer cluster expansion, and of the relationship between the Mayer and perturbative cluster expansions for liquids of flexible molecules. The application of the perturbative cluster expansion to coarse-grained models of dense multi-component polymer liquids is discussed, and a justification is given for the use of a loop expansion. As an example, the formalism is used to derive a new expression for the wave-number dependent direct correlation function and recover known expressions for the intramolecular two-point correlation function to first-order in a renormalized loop expansion for coarse-grained models of

  2. Finite-temperature perturbation theory for the random directed polymer problem

    SciTech Connect

    Korshunov, S. E.; Geshkenbein, V. B.; Blatter, G.

    2013-09-15

    We study the random directed polymer problem-the short-scale behavior of an elastic string (or polymer) in one transverse dimension subject to a disorder potential and finite temperature fluctuations. We are interested in the polymer short-scale wandering expressed through the displacement correlator Left-Pointing-Angle-Bracket [{delta}u(X)]{sup 2} Right-Pointing-Angle-Bracket , with {delta}u(X) being the difference in the displacements at two points separated by a distance X. While this object can be calculated at short scales using the perturbation theory in higher dimensions d > 2, this approach becomes ill-defined and the problem turns out to be nonperturbative in the lower dimensions and for an infinite-length polymer. In order to make progress, we redefine the task and analyze the wandering of a string of a finite length L. At zero temperature, we find that the displacement fluctuations Left-Pointing-Angle-Bracket [{delta}u(X)]{sup 2} Right-Pointing-Angle-Bracket {proportional_to} LX{sup 2} depend on L and scale with the square of the segment length X, which differs from a straightforward Larkin-type scaling. The result is best understood in terms of a typical squared angle Left-Pointing-Angle-Bracket {alpha}{sup 2} Right-Pointing-Angle-Bracket {proportional_to} L, where {alpha} = {partial_derivative}{sub x}u, from which the displacement scaling for the segment X follows naturally, Left-Pointing-Angle-Bracket [{delta}u(X)]{sup 2} Right-Pointing-Angle-Bracket {proportional_to} Left-Pointing-Angle-Bracket {alpha}{sup 2} Right-Pointing-Angle-Bracket X{sup 2}. At high temperatures, thermal fluctuations smear the disorder potential and the lowest-order results for disorder-induced fluctuations in both the displacement field and the angle vanish in the thermodynamic limit L {yields} {infinity}. The calculation up to the second order allows us to identify the regime of validity of the perturbative approach and provides a finite expression for the displacement

  3. Characterization of digital textile printing and polymer blend (PFO-DMP:P3HT) for application in manufacture of organic diodes emitting white light - WOLEDS

    NASA Astrophysics Data System (ADS)

    da Silva, Marco A. T.; Thomazini, Emanuelle F.; Albertini, Madson; Renzi, Wesley; Franchello, Flavio; Dias, Ivan F. L.; Duarte, José Leonil; Poças, Luiz C.; Lourenço, Sidney A.

    2016-12-01

    The research of materials and structures for the manufacture of organic diodes emitting white light WOLEDS has been very intense nowadays mainly due to the possibilities of its use in obtaining low-energy light consuming. The energy transfer between polymer materials has proven to be a great allied to search organic devices with emitting white light. Polymers such as PFO-DMP (donor) and P3HT (acceptor) are candidates for this application. In this work, P3HT, PFO-DMP and blends (PFO-DMP:P3HT (5%)) films were deposited by spin-coating on digital textile printing substrates. The optical properties of the digital textile printing, polymers and blend were studied by UV-VIS, steady-state photoluminescence (PL), PL quantum yield (PLQY) and Raman (all at 298 K) spectroscopy techniques. The digital textile printing were acquired from Isoliner, a Brazilian company specialized in this kind of textile. In the blend a strongly energy transfer from PFO-DMP to P3HT was observed. The PL spectrum of the PFO-DMP:P3HT (5%) covers the 430-730 nm range. From integrated PL spectra in the range of 13-643 K, it was obtained the temperature at which the phosphor loses 50% of its initial emission intensity, T1/2 = 430 K. Gaussian fits were performed, and the peaks were identified. Raman measurements were performed on substrates with and without polymers deposited and the results are in agreement with those found in the literature. Vibrational modes of textile increase the full width half maximum (FWHM), due to electron-phonons interaction. Results obtained through the coordinate calculation CIE from blend emission for various types of textile digital printing tested, showed the more appropriate combinations (substrate/blend) for emission in white.

  4. An X-band theory of electromagnetic interference shielding for graphene-polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Xia, Xiaodong; Mazzeo, Aaron D.; Zhong, Zheng; Weng, George J.

    2017-07-01

    Several experiments have revealed that the electromagnetic interference (EMI) shielding effectiveness (SE) of graphene-polymer nanocomposites in the X-band range is dependent on the AC frequency and graphene loading, but at present, no related theory seems to exist. In this paper, we develop an effective-medium theory that also considers the interface effects, percolation threshold, electron tunneling, Maxwell-Wagner-Sillars polarizations, Dyre's frequency-assisted electron hopping, and Debye's dielectric relaxation, to calculate the electrical conductivity, dielectric permittivity, and magnetic permeability of the nanocomposites. We then implement these properties into Maxwell's equations for a plane wave to address this issue. To provide the EMI SE over the X-band, the effective-medium theory is written in the complex setting, with the complex electrical conductivity and real magnetic permeability as the homogenization variables. We highlight the developed theory with applications to reduced graphene oxide/polystyrene nanocomposites, and show that the predicted EMI SEs are in close agreement with the measured data in the 8.2-12.4 GHz range at the graphene loadings of 0.87, 1.95, and 3.47 vol. %. We also show that the effective conductivity increases markedly in the high frequency range, while the dielectric permittivity decreases to a very low value. The EMI SE is found to increase with the conductivity and permeability, but weakly decrease with the permittivity. To provide the sources of shielding, the separate contributions from multiple-reflection loss, absorption loss, and reflection loss, to the overall EMI SE of the nanocomposite are also illustrated.

  5. The effective method based on IR annealing for manufacturing novel carbon nanocrystalline material and multifunctional metal-polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Kozhitov, L. V.; Kozlov, V. V.; Kostishyn, V. G.; Morchenko, A. T.; Muratov, D. G.

    2009-09-01

    Metal-containing polymeric nanomaterials were prepared by the two methods: infrared-irradiation pyrolysis and metals reduction from their salts in hydrazine on substrates. The composite consist of polymer matrix with 3d-metal nanoparticles. The structure and morphology of nanocomposites were investigated for the powder samples using X-ray diffraction, scanning and transmission electron microscopy, and Mössbauer spectroscopy (MS). It is shown that technology of preparing the nanocomposite under IR-irradiation is more effective than a thermal treatment under resistance-type heating, as the synergetic effect of influencing IR-radiation and heat leads to faster polymer transformations. The results of MS data comparison for the samples prepared by IR-radiation-stimulated pyrolysis and by means of salt reduction in hydrazine are discussed.

  6. Manufacturing Technology of Composite Materials—Principles of Modification of Polymer Composite Materials Technology Based on Polytetrafluoroethylene

    PubMed Central

    Panda, Anton; Dyadyura, Kostiantyn; Valíček, Jan; Harničárová, Marta; Zajac, Jozef; Modrák, Vladimír; Pandová, Iveta; Vrábel, Peter; Nováková-Marcinčínová, Ema; Pavelek, Zdeněk

    2017-01-01

    The results of the investigations into the technological formation of new wear-resistant polymer composites based on polytetrafluoroethylene (PTFE) filled with disperse synthetic and natural compounds are presented. The efficiency of using PTFE composites reinforced with carbon fibers depends on many factors, which influence the significant improvement of physicomechanical characteristics. The results of this research allow stating that interfacial and surface phenomena of the polymer–solid interface and composition play a decisive role in PTFE composites properties. Fillers hinder the relative movement of the PTFE molecules past one another and, in this way, reduce creep or deformation of the parts, reducing the wear rate of parts used in dynamic applications as well as the coefficient of thermal expansion. The necessary structural parameters of such polymer composites are provided by regimes of process equipment. PMID:28772733

  7. Supporting capacity sharing in the cloud manufacturing environment based on game theory and fuzzy logic

    NASA Astrophysics Data System (ADS)

    Argoneto, Pierluigi; Renna, Paolo

    2016-02-01

    This paper proposes a Framework for Capacity Sharing in Cloud Manufacturing (FCSCM) able to support the capacity sharing issue among independent firms. The success of geographical distributed plants depends strongly on the use of opportune tools to integrate their resources and demand forecast in order to gather a specific production objective. The framework proposed is based on two different tools: a cooperative game algorithm, based on the Gale-Shapley model, and a fuzzy engine. The capacity allocation policy takes into account the utility functions of the involved firms. It is shown how the capacity allocation policy proposed induces all firms to report truthfully their information about their requirements. A discrete event simulation environment has been developed to test the proposed FCSCM. The numerical results show the drastic reduction of unsatisfied capacity obtained by the model of cooperation implemented in this work.

  8. Manufacturing of polymer optical waveguides using self-assembly effect on pre-conditioned 3D-thermoformed flexible substrates

    NASA Astrophysics Data System (ADS)

    Hoffmann, Gerd-Albert; Wolfer, Tim; Zeitler, Jochen; Franke, Jörg; Suttmann, Oliver; Overmeyer, Ludger

    2017-02-01

    Optical data communication is increasingly interesting for many applications in industrial processes. Therefore mass production is required to meet the requested price and lot sizes. Polymer optical waveguides show great promises to comply with price requirements while providing sufficient optical quality for short range data transmission. A high efficient fabrication technology using polymer materials could be able to create the essential backbone for 3D-optical data transmission in the future. The approach for high efficient fabrication technology of micro optics described in this paper is based on a self-assembly effect of fluids on preconditioned 3D-thermoformed polymer foils. Adjusting the surface energy on certain areas on the flexible substrate by flexographic printing mechanism is presented in this paper. With this technique conditioning lines made of silicone containing UV-varnish are printed on top of the foils and create gaps with the exposed substrate material in between. Subsequent fabrication processes are selected whether the preconditioned foil is coated with acrylate containing waveguide material prior or after the thermoforming process. Due to the different surface energy this material tends to dewet from the conditioning lines. It acts like regional barriers and sets the width of the arising waveguides. With this fabrication technology it is possible to produce multiple waveguides with a single coating process. The relevant printing process parameters that affect the quality of the generated waveguides are discussed and results of the produced waveguides with width ranging from 10 to 300 μm are shown.

  9. A kinetic theory and benchmark predictions for polymer-dispersed, semi-flexible macromolecular rods or platelets

    NASA Astrophysics Data System (ADS)

    Li, Jun; Forest, M. G.; Wang, Qi; Zhou, R.

    2011-01-01

    The goals of this paper are: to present a mean-field kinetic theory for the hydrodynamics of macromolecular high aspect ratio rods or platelets dispersed in a polymeric solvent; and, to apply the formalism to predict the impact due to a polymeric versus viscous solvent on the classical Onsager isotropic-nematic equilibrium phase diagram and on the monodomain response to imposed steady shear. The kinetic theory coupling between the nanoscale rods or platelets and the polymeric solvent is incorporated through a mean-field potential that reflects the enormous particle-polymer surface area and the particle-polymer interactions across this interfacial area. To determine predictions of this theory on the equilibrium and sheared monodomain phase diagrams, we present a reduction procedure which approximates the coupled Smoluchowski equations for the polymer chain probability distribution function (PDF) and the nano-particle orientational PDF in favor of a coupled system of equations for the rank 2 second-moment tensors for each PDF. The reduced model consists of an 11-dimensional dynamical system, which we solve using continuation software (AUTO) to predict the modified Onsager equilibrium phase diagram and the modified Doi-Hess shear phase diagram due to the physics of polymer-particle surface interactions.

  10. Optical absorption in the substituted phenylene-based conjugated polymers: Theory and experiment

    SciTech Connect

    Chandross, M.; Mazumdar, S.; Liess, M.; Lane, P.A.; Vardeny, Z.V.; Hamaguchi, M.; Yoshino, K.

    1997-01-01

    We investigate theoretically and experimentally the effects of (2,5) chemical substitution on the optical absorption in the phenylene-based conjugated polymers. Theoretically, substitution destroys both the charge-conjugation symmetry and spatial symmetry that characterize the unsubstituted materials. Within Coulomb-correlated theoretical models, the effect of broken charge-conjugation symmetry alone on the underlying electronic structure and on the absorption spectrum is rather weak. When both broken spatial symmetry and broken charge-conjugation symmetry are taken into account, a strong effect on the electronic structure of polyphenylene derivatives is found. In spite of the strong effect of the broken symmetries on the electronic structure, the effect on the optical-absorption spectrum is weak. This surprising result is a consequence of the subtle nature of the configuration interaction in the substituted polyphenylenes within Coulomb-correlated models. We demonstrate numerically an approximate sum rule that governs the strength of an absorption band at 3.7 eV in the absorption spectra of poly(para-phenylene vinylene) (PPV) derivatives. Although substitution can make a previously forbidden transition weakly allowed, the latter acquires strength from a {open_quotes}finite-size band{close_quotes} at about the same energy, and not from a higher-energy band at 4.7 eV, as has been previously claimed. It is further predicted that the 3.7-eV band is polarized predominantly along the polymer-chain axis. We have measured the polarization dependence of the optical absorption in an oriented-substituted PPV film. We found that the two lowest-energy absorption bands are polarized predominantly parallel to the chain axis, while the band at 4.7 eV is polarized predominantly perpendicular to the chain axis. These results are in excellent agreement with the theory. {copyright} {ital 1997} {ital The American Physical Society}

  11. Regulatory Perspectives on Continuous Pharmaceutical Manufacturing: Moving From Theory to Practice: September 26-27, 2016, International Symposium on the Continuous Manufacturing of Pharmaceuticals.

    PubMed

    Nasr, Moheb M; Krumme, Markus; Matsuda, Yoshihiro; Trout, Bernhardt L; Badman, Clive; Mascia, Salvatore; Cooney, Charles L; Jensen, Keith D; Florence, Alastair; Johnston, Craig; Konstantinov, Konstantin; Lee, Sau L

    2017-06-26

    Continuous manufacturing plays a key role in enabling the modernization of pharmaceutical manufacturing. The fate of this emerging technology will rely, in large part, on the regulatory implementation of this novel technology. This paper, which is based on the 2nd International Symposium on the Continuous Manufacturing of Pharmaceuticals, describes not only the advances that have taken place since the first International Symposium on Continuous Manufacturing of Pharmaceuticals in 2014, but the regulatory landscape that exists today. Key regulatory concepts including quality risk management, batch definition, control strategy, process monitoring and control, real-time release testing, data processing and management, and process validation/verification are outlined. Support from regulatory agencies, particularly in the form of the harmonization of regulatory expectations, will be crucial to the successful implementation of continuous manufacturing. Collaborative efforts, among academia, industry, and regulatory agencies, are the optimal solution for ensuring a solid future for this promising manufacturing technology. Copyright © 2017 American Pharmacists Association®. All rights reserved.

  12. Manufacturing of high performance polymer nanocomposites containing carbon nanotubes and carbon nanofibers using ultrasound assisted extrusion process

    NASA Astrophysics Data System (ADS)

    Kumar, Rishi

    The major objective of this study was to investigate the effect of ultrasonic treatment on the state of dispersion and properties of carbon nanotubes (CNTs) and carbon nanofibers (CNFs) in polymer matrices. In order to achieve this objective, an ultrasonic single screw extruder operating at a frequency of 20 kHz and an amplitude of upto 10 microm and an ultrasonic twin screw extruder operating at a frequency of 40 kHz and an amplitude of upto 6.0 microm, were used to process highly viscous materials and disperse these nanofillers homogeneously in a polymer matrix at residence times of order of seconds. High temperature thermoplastic resins including polyetherimide (PEI), liquid crystalline polymer (LCP) and polyetheretherketone (PEEK) were used. Multiwalled carbon nanotubes (MWNTs) and CNFs were used as reinforcing fillers. The effect of nanofiller loading and ultrasonic amplitudes on rheological, mechanical, electrical, thermal and morphological properties of the nanocomposites was studied. Ultrasonic treatment showed a tremendous decrease in die pressure. Morphological studies showed that ultrasonic treatment improved dispersion of CNFs and CNTs in polymer matrices. PEI/CNFs and PEI/MWNTs nanocomposites were prepared using ultrasound assisted single and twin screw extruder, respectively. A permanent increase in the viscosity, storage and loss modulus and decrease in tan delta was observed with ultrasonic treatment. Ultrasonically treated PEI/CNFs nanocomposites showed a decrease in electrical percolation threshold value as compared to the untreated ones. Breakage of CNFs was observed primarily due to extrusion process alone. In case of PEI/MWNTs nanocomposites, percolation threshold value was found to be between 1 and 2 wt% loading of CNTs for both treated and untreated samples. LCP/CNFs nanocomposites were prepared using ultrasound assisted twin screw extruder with separate feeding of CNFs in the polymer melt. In contrast to behavior of PEI/CNFs and PEI

  13. Structural relaxation and diffusion in a model colloid-polymer mixture: dynamical density functional theory and simulation

    NASA Astrophysics Data System (ADS)

    Stopper, Daniel; Roth, Roland; Hansen-Goos, Hendrik

    2016-11-01

    Within the Asakura-Oosawa model, we study structural relaxation in mixtures of colloids and polymers subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self and distinct parts of the van Hove distribution function G(r,t) by means of dynamical density functional theory (DDFT) using an accurate free-energy functional based on Rosenfeld’s fundamental measure theory. In order to remove unphysical interactions within the self part, we extend the recently proposed quenched functional framework (Stopper et al 2015 J. Chem. Phys. 143 181105) toward mixtures. In addition, we obtain results for the long-time self diffusion coefficients of colloids and polymers from dynamic Monte Carlo simulations, which we incorporate into the DDFT. From the resulting DDFT equations we calculate G(r, t), which we find to agree very well with our simulations. In particular, we examine the influence of polymers which are slow relative to the colloids—a scenario for which both DDFT and simulation show a significant peak forming at r  =  0 in the colloid-colloid distribution function, akin to experimental findings involving gelation of colloidal suspensions. Moreover, we observe that, in the presence of slow polymers, the long-time self diffusivity of the colloids displays a maximum at an intermediate colloid packing fraction. This behavior is captured by a simple semi-empirical formula, which provides an excellent description of the data.

  14. Fatigue fracture of fiber reinforced polymer honeycomb composite sandwich structures for gas turbine engines

    NASA Astrophysics Data System (ADS)

    Nikhamkin, Mikhail; Sazhenkov, Nikolai; Samodurov, Danil

    2017-05-01

    Fiber reinforced polymer honeycomb composite sandwich structures are commonly used in different industries. In particular, they are used in the manufacture of gas turbine engines. However, fiber reinforced polymer honeycomb composite sandwich structures often have a manufacturing flaw. In theory, such flaws due to their rapid propagation reduce the durability of fiber reinforced polymer honeycomb composite sandwich structures. In this paper, bending fatigue tests of fiber reinforced polymer honeycomb composite sandwich structures with manufacturing flaws were conducted. Comparative analysis of fatigue fracture of fiber reinforced polymer honeycomb composite sandwich specimens was conducted before and after their bending fatigue tests. The analysis was based on the internal damage X-ray observation of fiber reinforced polymer honeycomb composite sandwich specimens.

  15. The deformation behavior of solid polymers and modeling with the viscoplasticity theory based on overstress

    NASA Astrophysics Data System (ADS)

    Khan, Fazeel Jilani

    The inelastic deformation of six engineering polymers has been investigated with the desideratum being a thorough mapping of the mechanical response characteristics and the subsequent application of a state-variable based constitutive material model to the data. Materials included in the investigation were polycarbonate (PC), Nylon 66, high-density polyethylene (HDPE), polyethylene-terephthalate (PET), polyethersulfone (PES) and polyphenylene oxide (PPO). Cylindrical specimens were machined from as-received rod stock. The use of a servo-hydraulic test frame with control mode switching capability has permitted data collection under strain and load controlled test configurations. In the region of homogeneous deformation with strain typically less than 10%, during loading all materials have been found to exhibit, (i) positive non-linear rate sensitivity in loading, (ii) the magnitude of the response in creep, relaxation and recovery tests varies non-linearly with changes in the prior loading rate, and (iii) in the inelastic flow region the stress drop in relaxation has been found to be independent of the test strain value. In addition to these findings, perhaps the most singular deformation response has been in the instance of relaxation (creep) during unloading when the rate of change of stress (strain) may undergo a change in sign. This phenomenon has been labeled 'rate reversal' and has surfaced in tensile and compression load conditions. The preponderance of data, therefore, suggests that the amorphous versus crystalline distinction does not largely manifest itself in the qualitative nature of the deformation behavior. This finding endorses the competence of macro-based models to undertake the task of polymer deformation modeling. Common response characteristics such as positive strain rate sensitivity, monotonic decreases in the stress magnitude in a relaxation test (strain hold), and response during creep have been modeled well with the existing viscoplasticity

  16. Modeling of hydro-thermo-mechanical behavior of Nafion NRE212 for Polymer Electrolyte Membrane Fuel Cells using the Finite Viscoplasticity Theory Based on Overstress for Polymers (FVBOP)

    NASA Astrophysics Data System (ADS)

    Colak, Ozgen U.; Acar, Alperen

    2013-08-01

    The primary aim of this work is to present the modifications made to the Finite Viscoplasticity Theory Based on Overstress for Polymers (FVBOP). This is a unified state variable theory and the proposed changes are designed to account for humidity and temperature effects relevant to the modeling of the hydrothermal deformation behavior of ionomer membranes used in Polymer Electrolyte Membrane Fuel Cells (PEMFC). Towards that end, the flow function, which is responsible for conferring rate dependency in FVBOP, is modified. A secondary objective of this work was to investigate the feasibility of using the storage modulus obtained by Dynamic Mechanical Analysis (DMA) in place of the elasticity modulus obtained from conventional tensile/compressive tests, and find the correlation between the storage modulus and the elasticity modulus. The numerical simulations were juxtaposed against data from tensile monotonic loading and unloading experiments on perfluorosulfonic acid (PFSA) membrane Nafion NRE212 samples which are used extensively as a membrane material in PEMFC. The deformation behavior was modeled at four different temperatures (298, 323, 338, and 353 K—all values below the glass transition temperature of Nafion) and at three water content levels (3, 7 and 8 % swelling). The effects of strain rate, temperature, and hydration were captured well with the modified FVBOP model.

  17. The viability and limitations of percolation theory in modeling the electrical behavior of carbon nanotube-polymer composites.

    PubMed

    Xu, S; Rezvanian, O; Peters, K; Zikry, M A

    2013-04-19

    A new modeling method has been proposed to investigate how the electrical conductivity of carbon nanotube (CNT) reinforced polymer composites are affected by tunneling distance, volume fraction, and tube aspect ratios. A search algorithm and an electrical junction identification method was developed with a percolation approach to determine conductive paths for three-dimensional (3D) carbon nanotube arrangements and to account for electron tunneling effects. The predicted results are used to understand the limitations of percolation theory and experimental measurements and observations, and why percolation theory breaks down for specific CNT arrangements.

  18. Photovoltaic manufacturing technology monolithic amorphous silicon modules on continuous polymer substrates: Final technical report, July 5, 1995--December 31, 1999

    SciTech Connect

    Jeffrey, F.

    2000-03-28

    Iowa Thin Film Technologies is completing a three-phase program that has increased throughput and decreased costs in nearly all aspects of its thin-film photovoltaic manufacturing process. The overall manufacturing costs have been reduced by 61 percent through implementation of the improvements developed under this program. Development of the ability to use a 1-mil substrate, rather than the standard 2-mil substrate, results in a 50 percent cost-saving for this material. Process development on a single-pass amorphous silicon deposition system has resulted in a 37 percent throughput improvement. A wide range of process and machine improvements have been implemented on the transparent conducting oxide deposition system. These include detailed parameter optimization of deposition temperatures, process gas flows, carrier gas flows, and web speeds. An overall process throughput improvement of 275 percent was achieved based on this work. The new alignment technique was developed for the laser scriber and printer systems, which improved registration accuracy from 100 microns to 10 microns. The new technique also reduced alignment time for these registration systems significantly. This resulted in a throughput increase of 75 percent on the scriber and 600 percent on the printer. Automated techniques were designed and implemented for the module assembly processes. These include automated busbar attachment, roll-based lamination, and automated die cutting of finished modules. These processes were previously done by hand labor. Throughput improvements ranged from 200 percent to 1200 percent, relative to hand labor rates. A wide range of potential encapsulation materials were evaluated for suitability in a roll lamination process and for cost-effectiveness. A combination material was found that has a cost that is only 10 percent of the standard EVA/Tefzel cost and is suitable for medium-lifetime applications. The 20-year lifetime applications still require the more expensive

  19. Analysis of surface segregation in polymer mixtures: A combination of mean field and statistical associated fluid theories

    NASA Astrophysics Data System (ADS)

    Krawczyk, Jaroslaw; Croce, Salvatore; Chakrabarti, Buddhapriya; Tasche, Jos

    The surface segregation in polymer mixtures remains a challenging problem for both academic exploration as well as industrial applications. Despite its ubiquity and several theoretical attempts a good agreement between computed and experimentally observed profiles has not yet been achieved. A simple theoretical model proposed in this context by Schmidt and Binder combines Flory-Huggins free energy of mixing with the square gradient theory of wetting of a wall by fluid. While the theory gives us a qualitative understanding of the surface induced segregation and the surface enrichment it lacks the quantitative comparison with the experiment. The statistical associating fluid theory (SAFT) allows us to calculate accurate free energy for a real polymeric materials. In an earlier work we had shown that increasing the bulk modulus of a polymer matrix through which small molecules migrate to the free surface causes reduction in the surface migrant fraction using Schmidt-Binder and self-consistent field theories. In this work we validate this idea by combining mean field theories and SAFT to identify parameter ranges where such an effect should be observable. Department of Molecular Physics, Łódź University of Technology, Żeromskiego 116, 90-924 Łódź, Poland.

  20. Smart polymers as surface modifiers for bioanalytical devices and biomaterials: theory and practice

    NASA Astrophysics Data System (ADS)

    Ivanov, A. E.; Zubov, V. P.

    2016-06-01

    Smart, or responsive polymers can reversibly change their state of aggregation, thus switching from water-soluble to insoluble state, in response to minor changes in temperature, pH or solvent composition. Grafting of these polymers to solid surfaces imparts the surfaces with controllable wettability and adsorption behaviour. The review summarizes the theoretical models and the results of physical measurements of the conformational transitions in grafted polymer chains and polymer brushes. Primary attention is paid to the grafting density and the length and spatial arrangement of grafted chains, the role of polystyrene, organosilane or alkanethiol sublayers and their effects on adsorption of proteins and adhesion of cells. The key applications of grafted smart polymers such as cell culture and tissue engineering, cell and protein separation, biosensing and targeted drug delivery are surveyed. The bibliography includes 174 references.

  1. Flory Model of Polymer Crystallization, Kauzmann Paradox and Gibbs-DiMarzio Theory of Glass Transition

    NASA Astrophysics Data System (ADS)

    Corsi, A.; Gujrati, P. D.

    2000-03-01

    The Flory model of crystallization of polymers is well known and forms the cornerstone of the Gibbs-DiMarzio theory of glass transition. The model has no known exact solution and the original calculation [1] was shown to be incorrect [2]. Still it is interesting to know the order of the phase transition, if it has one. We have studied the thermodynamics of the model in the limit of infinite molecular weight. We have solved it exactly on a recursive lattice with coordination number q=4, relevant for a tetrahedral lattice. Our results show that there is a continuous, i.e. a second-order, transition at which the entropy of the system is continuous. It is finite at all temperatures and approaches 0 as T goes to 0 so that the system is never completely ordered except at T=0. As the temperature is raised above T=0 the system begins to disorder with a degree of disorder that depends on T, which is in accordance with the analysis of Gujrati and Goldstein [2]. Since there is no first order transition there is no Kauzmann paradox. Similarly there is no possible metastable extension in the model which is central to the Gibbs-DiMarzio conjecture for an ideal glass transition. Thus, our solution does not justify their conjecture. [1] P.J. Flory, Proc. R. Soc. London Ser., A234, 60 (1956) [2] P.D. Gujrati, J. Phys. A: Math. Gen., 13, L437 (1980), P.D. Gujrati, M. Goldstein, J. Chem. Phys., 74(4), 2596 (1981)

  2. Manufacture of small calibre quadruple lamina vascular bypass grafts using a novel automated extrusion-phase-inversion method and nanocomposite polymer.

    PubMed

    Sarkar, Sandip; Burriesci, Gaetano; Wojcik, Adam; Aresti, Nicholas; Hamilton, George; Seifalian, Alexander M

    2009-04-16

    Long-term patency of expanded polytetrafluoroethylene (ePTFE) small calibre cardiovascular bypass prostheses (<6mm) is poor because of thrombosis and intimal hyperplasia due to low compliance, stimulating the search for elastic alternatives. Wall porosity allows effective post-implantation graft healing, encouraging endothelialisation and a measured fibrovascular response. We have developed a novel poly (carbonate) urethane-based nanocomposite polymer incorporating polyhedral oligomeric silsesquioxane (POSS) nanocages (UCL-NANO) which shows anti-thrombogenicity and biostability. We report an extrusion-phase-inversion technique for manufacturing uniform-walled porous conduits using UCL-NANO. Image analysis-aided wall measurement showed that two uniform wall-thicknesses could be specified. Different coagulant conditions revealed the importance of low-temperature phase-inversion for graft integrity. Although minor reduction of pore-size variation resulted from the addition of ethanol or N,N-dimethylacetamide, high concentrations of ethanol as coagulant did not provide uniform porosity throughout the wall. Tensile testing showed the grafts to be elastic with strength being directly proportional to weight. The ultimate strengths achieved were above those expected from haemodynamic conditions, with anisotropy due to the manufacturing process. Elemental analysis by energy-dispersive X-ray analysis did not show a regional variation of POSS on the lumen or outer surface. In conclusion, the automated vertical extrusion-phase-inversion device can reproducibly fabricate uniform-walled small calibre conduits from UCL-NANO. These elastic microporous grafts demonstrate favourable mechanical integrity for haemodynamic exposure and are currently undergoing in-vivo evaluation of durability and healing properties.

  3. Effect of attractive interactions between polymers on the effective force acting between colloids immersed in a polymer system: Analytic liquid-state theory.

    PubMed

    Chervanyov, A I

    2016-12-28

    By making use of the polymer reference interaction site model, we analytically study the effect of attractive interactions between polymers on the effective forces acting between colloids immersed in a polymer system. The performed theoretical analysis has no restrictions with respect to the polymer density and relative sizes of the colloids and polymers. The polymer mediated (PM) potential acting between colloids is shown to significantly depend on the strength and range of the polymer-polymer interactions. In the nano-particle limit, where the colloid radius is much smaller than the polymer gyration radius, the presence of attractive polymer-polymer interactions causes only quantitative changes to the PM potential. In the opposite limit of relatively large colloids, the polymer-polymer interactions revert the sign of the total effective force acting between colloids so that this force becomes attractive at sufficiently large polymer densities. With the objective to study an intricate interplay between the attractive PM forces and steric repulsion in different polymer density regimes, we calculate the second virial coefficient B of the total effective potential acting between colloids. The dependence of B on the polymer density is discussed in detail, revealing several novel features of the PM interactions caused by the presence of attractive polymer-polymer interactions.

  4. Complex microstructures of ABC triblock copolymer thin films directed by polymer brushes based on self-consistent field theory.

    PubMed

    Jiang, Zhibin; Xu, Chang; Qiu, Yu Dong; Wang, Xiaoliang; Zhou, Dongshan; Xue, Gi

    2014-01-01

    The morphology and the phase diagram of ABC triblock copolymer thin film directed by polymer brushes are investigated by the self-consistent field theory in three dimensions. The polymer brushes coated on the substrate can be used as a good soft template to tailor the morphology of the block copolymer thin films compared with those on the hard substrates. The polymer brush is identical with the middle block B. By continuously changing the composition of the block copolymer, the phase diagrams are constructed for three cases with the fixed film thickness and the brush density: identical interaction parameters, frustrated and non-frustrated cases. Some ordered complex morphologies are observed: parallel lamellar phase with hexagonally packed pores at surfaces (LAM3 (ll) -HFs), perpendicular lamellar phase with cylinders at the interface (LAM(⊥)-CI), and perpendicular hexagonally packed cylinders phase with rings at the interface (C2 (⊥)-RI). A desired direction (perpendicular or parallel to the coated surfaces) of lamellar phases or cylindrical phases can be obtained by varying the composition and the interactions between different blocks. The phase diagram of ABC triblock copolymer thin film wetted between the polymer brush-coated surfaces is very useful in designing the directed pattern of ABC triblock copolymer thin film.

  5. Complex microstructures of ABC triblock copolymer thin films directed by polymer brushes based on self-consistent field theory

    PubMed Central

    2014-01-01

    The morphology and the phase diagram of ABC triblock copolymer thin film directed by polymer brushes are investigated by the self-consistent field theory in three dimensions. The polymer brushes coated on the substrate can be used as a good soft template to tailor the morphology of the block copolymer thin films compared with those on the hard substrates. The polymer brush is identical with the middle block B. By continuously changing the composition of the block copolymer, the phase diagrams are constructed for three cases with the fixed film thickness and the brush density: identical interaction parameters, frustrated and non-frustrated cases. Some ordered complex morphologies are observed: parallel lamellar phase with hexagonally packed pores at surfaces (LAM3 ll -HFs), perpendicular lamellar phase with cylinders at the interface (LAM⊥-CI), and perpendicular hexagonally packed cylinders phase with rings at the interface (C2⊥-RI). A desired direction (perpendicular or parallel to the coated surfaces) of lamellar phases or cylindrical phases can be obtained by varying the composition and the interactions between different blocks. The phase diagram of ABC triblock copolymer thin film wetted between the polymer brush-coated surfaces is very useful in designing the directed pattern of ABC triblock copolymer thin film. PMID:25114650

  6. Roll to Roll Electric Field "Z" Alignment of Nanoparticles from Polymer Solutions for Manufacturing Multifunctional Capacitor Films.

    PubMed

    Guo, Yuanhao; Batra, Saurabh; Chen, Yuwei; Wang, Enmin; Cakmak, Miko

    2016-07-20

    A roll to roll continuous processing method is developed for vertical alignment ("Z" alignment) of barium titanate (BaTiO3) nanoparticle columns in polystyrene (PS)/toluene solutions. This is accomplished by applying an electric field to a two-layer solution film cast on a carrier: one is the top sacrificial layer contacting the electrode and the second is the polymer solution dispersed with BaTiO3 particles. Flexible Teflon coated mesh is utilized as the top electrode that allows the evaporation of solvent through the openings. The kinetics of particle alignment and chain buckling is studied by the custom-built instrument measuring the real time optical light transmission during electric field application and drying steps. The nanoparticles dispersed in the composite bottom layer form chains due to dipole-dipole interaction under an applied electric field. In relatively weak electric fields, the particle chain axis tilts away from electric field direction due to bending caused by the shrinkage of the film during drying. The use of strong electric fields leads to maintenance of alignment of particle chains parallel to the electric field direction overcoming the compression effect. At the end of the process, the surface features of the top porous electrodes are imprinted at the top of the top sacrificial layer. By removing this layer a smooth surface film is obtained. The nanocomposite films with "Z" direction alignment of BaTiO3 particles show substantially increased dielectric permittivity in the thickness direction for enhancing the performance of capacitors.

  7. Modeling helical polymer brushes using self-consistent field theory (SCFT)

    NASA Astrophysics Data System (ADS)

    Mahalik, Jyoti; Sumpter, Bobby; Kumar, Rajeev

    We investigate structure of helical polymer brushes in terms of segment density distribution and local helical ordering using SCFT. A flexible chain model with vector potential was used to model liquid crystalline-like ordering in the brushes. The effects of surface grafting density, polymer molecular weight and the solvent quality on the brush structure were investigated. For densely grafted polymer brushes or the brushes made up of high molecular weight polymers, immersed in good quality solvent, stronger orientational ordering was found near the edge of the brushes (i.e., far from the grafting surface). Furthermore, an increase in the orientational ordering near the grafted end was found with decrease in solvent quality or decrease in molecular weight and decrease in surface grafting density. Computer Science and Mathematics Division, Oak Ridge National Laboratory.

  8. Segment-scale, force-level theory of mesoscopic dynamic localization and entropic elasticity in entangled chain polymer liquids

    NASA Astrophysics Data System (ADS)

    Dell, Zachary E.; Schweizer, Kenneth S.

    2017-04-01

    We develop a segment-scale, force-based theory for the breakdown of the unentangled Rouse model and subsequent emergence of isotropic mesoscopic localization and entropic elasticity in chain polymer liquids in the absence of ergodicity-restoring anisotropic reptation or activated hopping motion. The theory is formulated in terms of a conformational N-dynamic-order-parameter generalized Langevin equation approach. It is implemented using a universal field-theoretic Gaussian thread model of polymer structure and closed at the level of the chain dynamic second moment matrix. The physical idea is that the isotropic Rouse model fails due to the dynamical emergence, with increasing chain length, of time-persistent intermolecular contacts determined by the combined influence of local uncrossability, long range polymer connectivity, and a self-consistent treatment of chain motion and the dynamic forces that hinder it. For long chain melts, the mesoscopic localization length (identified as the tube diameter) and emergent entropic elasticity predictions are in near quantitative agreement with experiment. Moreover, the onset chain length scales with the semi-dilute crossover concentration with a realistic numerical prefactor. Distinctive novel predictions are made for various off-diagonal correlation functions that quantify the full spatial structure of the dynamically localized polymer conformation. As the local excluded volume constraint and/or intrachain bonding spring are softened to allow chain crossability, the tube diameter is predicted to swell until it reaches the radius-of-gyration at which point mesoscopic localization vanishes in a discontinuous manner. A dynamic phase diagram for such a delocalization transition is constructed, which is qualitatively consistent with simulations and the classical concept of a critical entanglement degree of polymerization.

  9. Segment-scale, force-level theory of mesoscopic dynamic localization and entropic elasticity in entangled chain polymer liquids.

    PubMed

    Dell, Zachary E; Schweizer, Kenneth S

    2017-04-07

    We develop a segment-scale, force-based theory for the breakdown of the unentangled Rouse model and subsequent emergence of isotropic mesoscopic localization and entropic elasticity in chain polymer liquids in the absence of ergodicity-restoring anisotropic reptation or activated hopping motion. The theory is formulated in terms of a conformational N-dynamic-order-parameter generalized Langevin equation approach. It is implemented using a universal field-theoretic Gaussian thread model of polymer structure and closed at the level of the chain dynamic second moment matrix. The physical idea is that the isotropic Rouse model fails due to the dynamical emergence, with increasing chain length, of time-persistent intermolecular contacts determined by the combined influence of local uncrossability, long range polymer connectivity, and a self-consistent treatment of chain motion and the dynamic forces that hinder it. For long chain melts, the mesoscopic localization length (identified as the tube diameter) and emergent entropic elasticity predictions are in near quantitative agreement with experiment. Moreover, the onset chain length scales with the semi-dilute crossover concentration with a realistic numerical prefactor. Distinctive novel predictions are made for various off-diagonal correlation functions that quantify the full spatial structure of the dynamically localized polymer conformation. As the local excluded volume constraint and/or intrachain bonding spring are softened to allow chain crossability, the tube diameter is predicted to swell until it reaches the radius-of-gyration at which point mesoscopic localization vanishes in a discontinuous manner. A dynamic phase diagram for such a delocalization transition is constructed, which is qualitatively consistent with simulations and the classical concept of a critical entanglement degree of polymerization.

  10. Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory.

    PubMed

    Marsalek, Ondrej; Markland, Thomas E

    2016-02-07

    Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

  11. Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

    SciTech Connect

    Marsalek, Ondrej; Markland, Thomas E.

    2016-02-07

    Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

  12. Theory of competitive solvation of polymers by two solvents and entropy-enthalpy compensation in the solvation free energy upon dilution with the second solvent

    NASA Astrophysics Data System (ADS)

    Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.

    2015-06-01

    We develop a statistical mechanical lattice theory for polymer solvation by a pair of relatively low molar mass solvents that compete for binding to the polymer backbone. A theory for the equilibrium mixture of solvated polymer clusters {AiBCj} and free unassociated molecules A, B, and C is formulated in the spirit of Flory-Huggins mean-field approximation. This theoretical framework enables us to derive expressions for the boundaries for phase stability (spinodals) and other basic properties of these polymer solutions: the internal energy U, entropy S, specific heat CV, extent of solvation Φsolv, average degree of solvation , and second osmotic virial coefficient B 2 as functions of temperature and the composition of the mixture. Our theory predicts many new phenomena, but the current paper applies the theory to describe the entropy-enthalpy compensation in the free energy of polymer solvation, a phenomenon observed for many years without theoretical explanation and with significant relevance to liquid chromatography and other polymer separation methods.

  13. Theory of competitive solvation of polymers by two solvents and entropy-enthalpy compensation in the solvation free energy upon dilution with the second solvent.

    PubMed

    Dudowicz, Jacek; Freed, Karl F; Douglas, Jack F

    2015-06-07

    We develop a statistical mechanical lattice theory for polymer solvation by a pair of relatively low molar mass solvents that compete for binding to the polymer backbone. A theory for the equilibrium mixture of solvated polymer clusters {AiBCj} and free unassociated molecules A, B, and C is formulated in the spirit of Flory-Huggins mean-field approximation. This theoretical framework enables us to derive expressions for the boundaries for phase stability (spinodals) and other basic properties of these polymer solutions: the internal energy U, entropy S, specific heat CV, extent of solvation Φsolv, average degree of solvation 〈Nsolv〉, and second osmotic virial coefficient B2 as functions of temperature and the composition of the mixture. Our theory predicts many new phenomena, but the current paper applies the theory to describe the entropy-enthalpy compensation in the free energy of polymer solvation, a phenomenon observed for many years without theoretical explanation and with significant relevance to liquid chromatography and other polymer separation methods.

  14. Parameter identifiability in application of soft particle electrokinetic theory to determine polymer and polyelectrolyte coating thicknesses on colloids.

    PubMed

    Louie, Stacey M; Phenrat, Tanapon; Small, Mitchell J; Tilton, Robert D; Lowry, Gregory V

    2012-07-17

    Soft particle electrokinetic models have been used to determine adsorbed nonionic polymer and polyelectrolyte layer properties on nanoparticles or colloids by fitting electrophoretic mobility data. Ohshima first established the formalism for these models and provided analytical approximations ( Ohshima, H. Adv. Colloid Interface Sci.1995, 62, 189 ). More recently, exact numerical solutions have been developed, which account for polarization and relaxation effects and require fewer assumptions on the particle and soft layer properties. This paper characterizes statistical uncertainty in the polyelectrolyte layer charge density, layer thickness, and permeability (Brinkman screening length) obtained from fitting data to either the analytical or numerical electrokinetic models. Various combinations of particle core and polymer layer properties are investigated to determine the range of systems for which this analysis can provide a solution with reasonably small uncertainty bounds, particularly for layer thickness. Identifiability of layer thickness in the analytical model ranges from poor confidence for cases with thick, highly charged coatings, to good confidence for cases with thin, low-charged coatings. Identifiability is similar for the numerical model, except that sensitivity is improved at very high charge and permeability, where polarization and relaxation effects are significant. For some poorly identifiable cases, parameter reduction can reduce collinearity to improve identifiability. Analysis of experimental data yielded results consistent with expectations from the simulated theoretical cases. Identifiability of layer charge density and permeability is also evaluated. Guidelines are suggested for evaluation of statistical confidence in polymer and polyelectrolyte layer parameters determined by application of the soft particle electrokinetic theory.

  15. Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods.

    PubMed

    Menzeleev, Artur R; Ananth, Nandini; Miller, Thomas F

    2011-08-21

    The use of ring polymer molecular dynamics (RPMD) for the direct simulation of electron transfer (ET) reaction dynamics is analyzed in the context of Marcus theory, semiclassical instanton theory, and exact quantum dynamics approaches. For both fully atomistic and system-bath representations of condensed-phase ET, we demonstrate that RPMD accurately predicts both ET reaction rates and mechanisms throughout the normal and activationless regimes of the thermodynamic driving force. Analysis of the ensemble of reactive RPMD trajectories reveals the solvent reorganization mechanism for ET that is anticipated in the Marcus rate theory, and the accuracy of the RPMD rate calculation is understood in terms of its exact description of statistical fluctuations and its formal connection to semiclassical instanton theory for deep-tunneling processes. In the inverted regime of the thermodynamic driving force, neither RPMD nor a related formulation of semiclassical instanton theory capture the characteristic turnover in the reaction rate; comparison with exact quantum dynamics simulations reveals that these methods provide inadequate quantization of the real-time electronic-state dynamics in the inverted regime.

  16. Synthesis, characterization, and transistor response of semiconducting silole polymers with substantial hole mobility and air stability. Experiment and theory.

    PubMed

    Lu, Gang; Usta, Hakan; Risko, Chad; Wang, Lian; Facchetti, Antonio; Ratner, Mark A; Marks, Tobin J

    2008-06-18

    Realizing p-channel semiconducting polymers with good hole mobility, solution processibility, and air stability is an important step forward in the chemical manipulation of charge transport in polymeric solids and in the development of low-cost printed electronics. We report here the synthesis and full characterization of the dithienosilole- and dibenzosilole-based homopolymers, poly(4,4-di-n-hexyldithienosilole) (TS6) and poly(9,9-di-n-octyldibenzosilole) (BS8), and their mono- and bithiophene copolymers, poly(4,4-di-n-hexyldithienosilole-alt-(bi)thiophene) (TS6T1, TS6T2) and poly(9,9-di-n-octyldibenzosilole-alt-(bi)thiophene) (BS8T1, BS8T2), and examine in detail the consequences of introducing dithienosilole and dibenzosilole cores into a thiophene polymer backbone. We demonstrate air-stable thin-film transistors (TFTs) fabricated under ambient conditions having hole mobilities as large as 0.08 cm(2)/V x s, low turn-on voltages, and current on/off ratios > 10(6). Additionally, unencapsulated TFTs fabricated under ambient conditions are air-stable, an important advance over regioregular poly(3-hexylthiophene) (P3HT)-based devices. Density functional theory calculations provide detailed insight into the polymer physicochemical and charge transport characteristics. A direct correlation between the hole injection barrier and both TFT turn-on voltage and TFT polymer hole mobility is identified and discussed, in combination with thin-film morphological characteristics, to explain the observed OTFT performance trends.

  17. Macro- and micro-nutrient release characteristics of three polymer-coated fertilizers: Theory and measurements

    USDA-ARS?s Scientific Manuscript database

    In spite of several published studies we have an incomplete understanding of the ion release mechanisms and characteristics of primary polymer-coated fertilizer (PCF) technologies. Here we extend current conceptual models describing release mechanisms and describe the critical effects of substrate m...

  18. Approximate theory of highly absorbing polymer ablation by nanosecond laser pulses

    NASA Astrophysics Data System (ADS)

    Furzikov, N. P.

    1990-04-01

    Surface interference, nonlinearly saturated instability of laser-induced thermodestruction, and subsequent oscillation of absorption mode permit the description of analytical ablation thresholds and depths per pulse of polymers having high absorption at laser wavelengths, e.g., polyimide and poly(ethylene terephtalate). Inverse problem solution for polycarbonate and ablation invariant designing are also realized.

  19. A statistically-based continuum theory for polymers with transient networks

    NASA Astrophysics Data System (ADS)

    Vernerey, Franck J.; Long, Rong; Brighenti, Roberto

    2017-10-01

    We present a physics-based theoretical framework to describe the transient mechanical response of polymers undergoing finite deformation. For this, a statistical description of the polymer network is provided by a distribution function that is allowed to evolve in time due to a combination of deformation and chain reconfiguration enabled by transient cross-links. After presenting the evolution law for the chain distribution function, we show that, using classical thermodynamics, one can determine how the entropy, elastic energy and true stress evolve in terms of the network configuration. In particular, we introduce the concept of distribution tensor, which enables a clean transition between the network statistics, its continuum representation and the macroscopic polymer response. In the context of Gaussian statistics, it is further shown that this tensor follows its own evolution law, enabling a simple handling of visco-elastic rubbers. The model degenerates to classical rubber elasticity when cross-links are permanent, while the case of viscous fluids is recovered for fast cross-link kinetics. The generality of the framework as well as its relevance to modeling a number of important dissipative processes occurring in polymers using a continuum approach are also discussed.

  20. Theory and computer simulation of photo induced deformations in liquid crystal azobenzene polymers

    NASA Astrophysics Data System (ADS)

    Saphiannikova, Marina; Toshchevikov, Vladimir; Petrova, Tatiana; Ilnytskyi, Jaroslav

    2016-09-01

    Light-controllable azobenzene materials have a remarkable potential for micro- and nanotechnologies as patterning templates, sensors, micropumps and actuators. The photoisomerization between trans and cis states of azo-chromophores is the primary source of photodeformation in azo-polymers. The direction of deformation can be controlled by the light polarization. In our analytical and computer simulation studies, description of the light-induced anisotropy is simplified by applying effective orientation potential to the trans isomers orienting them perpendicular to the light polarization. Using coarse-grained modelling we proved that effective potential approximates well the reorientation of trans isomers under linearly polarized light. The proposed orientation approach is quite promising. It allows not only the explanation of the sign and magnitude of photodeformation in azo-polymers with diverse chemical architecture and topology, but also the prediction of new effects, such as appearance of biaxial deformation in liquid crystal (LC) azo-polymers. A rich behavior is predicted for two-component polymer networks containing azobenzenes and non-chromophoric LC mesogens. Whether such two-component network expands or contracts with respect to the light polarization, depends on the art of attachment of the mesogens to the network strands.

  1. The theory and design of piezoelectric/pyroelectric polymer film sensors for biomedical engineering applications.

    PubMed

    Brown, L F

    1989-01-01

    The unique properties of piezoelectric/pyroelectric polymers offer many new opportunities for biomedical engineering sensor applications. Since their discovery nearly 20 years ago, the polymer films have been used for many novel switching and sensor applications. Despite the prodigious exposure from many recent publications describing piezo film applications, methods of sensor fabrication and circuit interfacing still elude most engineers. This paper is presented as a tutorial guide to applying piezo polymers to biomedical engineering applications. A review of the fundamentals of piezoelectricity/pyroelectricity in piezo polymers is first presented. Their material properties are contrasted with piezoelectric ceramic materials. Some advantages and disadvantages of the films for biomedical sensors are discussed. Specific details on the fabrication of piezo film sensors are presented. Methods are described for forming, cutting, and mounting film sensors, and making lead connections. A brief discussion of equivalent circuit models for the design and simulation of piezoelectric/pyroelectric sensors is included, as well as common circuit interface techniques. Finally, several sources are recommended for further information on a variety of biomedical sensor applications.

  2. Unified force-level theory of multiscale transient localization and emergent elasticity in polymer solutions and melts

    NASA Astrophysics Data System (ADS)

    Dell, Zachary E.; Schweizer, Kenneth S.

    A unified, microscopic, theoretical understanding of polymer dynamics in concentrated liquids from segmental to macromolecular scales remains an open problem. We have formulated a statistical mechanical theory for this problem that explicitly accounts for intra- and inter-molecular forces at the Kuhn segment level. The theory is self-consistently closed at the level of a matrix of dynamical second moments of a tagged chain. Two distinct regimes of isotropic transient localization are predicted. In semidilute solutions, weak localization is predicted on a mesoscopic length scale between segment and chain scales which is a power law function of the invariant packing length. This is consistent with the breakdown of Rouse dynamics and the emergence of entanglements. The chain structural correlations in the dynamically arrested state are also computed. In dense melts, strong localization is predicted on a scale much smaller than the segment size which is weakly dependent on chain connectivity and signals the onset of glassy dynamics. Predictions of the dynamic plateau shear modulus are consistent with the known features of emergent rubbery and glassy elasticity. Generalizations to treat the effects of chemical crosslinking and physical bond formation in polymer gels are possible.

  3. Characterization of physico-mechanical properties of indomethacin and polymers to assess their suitability for hot-melt extrusion processs as a means to manufacture solid dispersion/solution.

    PubMed

    Chokshi, Rina J; Sandhu, Harpreet K; Iyer, Raman M; Shah, Navnit H; Malick, A Waseem; Zia, Hossein

    2005-11-01

    The objective of the study was to characterize the physical and viscoelastic properties of binary mixtures of drug and selected polymers to assess their suitability for use in the hot-melt extrusion (HME) process as a means to improve solubility by manufacturing either solid dispersion or solid solution. Indomethacin (INM) was selected as a model drug. Based on comparable solubility parameters, the selected polymers were Eudragit EPO (EPO), polyvinylpyrrolidone/vinyl acetate copolymer (PVP-VA), polyvinylpyrrolidone K30 (PVPK30), and poloxamer 188 (P188). The various drug and polymer systems were characterized for thermal and rheological properties as a function of drug concentration to provide an insight into miscibility and processibility of these systems. From the thermal analysis studies, a single T(g) was observed for the binary mixtures of INM/EPO, INM/PVP-VA, and INM/PVPK30, indicating miscibility of drug and polymer in the given ratios. In the case of mixtures of INM/P188, two melting endotherms were observed with decreasing drug melting point as a function of polymer concentration indicating partial miscibility of drug in polymer. As part of the rheological evaluation, zero rate viscosity (eta(o)) and activation energy (E(a)) was determined for the various systems using torque rheometer at varying shear rates and temperatures. The eta(o) for binary mixtures of drug and EPO, PVP-VA and PVPK30 were found to be significantly lower as compared to pure polymer, indicating disruption of the polymer structure due to miscibility of the drug. On the other hand, INM/P188 mixtures showed a higher eta(o) compared to pure polymer indicating partial miscibility of drug and polymer. With respect to E(a), the mixtures of INM/EPO showed an increase in E(a) with increasing drug concentration, suggesting antiplasticization effect of the drug. These findings corroborate the thermal analysis results showing increase T(g) for the various binary mixtures. The mixtures of INM

  4. Ring-polymer instanton theory of electron transfer in the nonadiabatic limit

    NASA Astrophysics Data System (ADS)

    Richardson, Jeremy O.

    2015-10-01

    We take the golden-rule instanton method derived in the previous paper [J. O. Richardson, R. Bauer, and M. Thoss, J. Chem. Phys. 143, 134115 (2015)] and reformulate it using a ring-polymer instanton approach. This gives equations which can be used to compute the rates of electron-transfer reactions in the nonadiabatic (golden-rule) limit numerically within a semiclassical approximation. The multidimensional ring-polymer instanton trajectories are obtained efficiently by minimization of the action. In this form, comparison with Wolynes' quantum instanton method [P. G. Wolynes, J. Chem. Phys. 87, 6559 (1987)] is possible and we show that our semiclassical approach is the steepest-descent limit of this method. We discuss advantages and disadvantages of both methods and give examples of where the new approach is more accurate.

  5. On Theory of Dispersive Transport in a Two-Layer Polymer Structure

    NASA Astrophysics Data System (ADS)

    Sibatov, R. T.; Morozova, E. V.

    2016-09-01

    Dispersive transport of charge carriers in a two-layer polymer structure is modeled on the basis of the integrodifferential equation of hereditary diffusion. The model of multiple trapping in a bilayer is generalized to the case of an arbitrary density of localized states. With the help of an efficient Monte Carlo algorithm, curves of the transient current are calculated and their features are explained within the framework of a stochastic interpretation of the process.

  6. Theory for the capillary electrophoretic separation of DNA in polymer solutions.

    PubMed

    Jung, Ho Jin; Bae, Young Chan

    2002-08-23

    We present a mathematical model based on the models of Hubert et al. [Macromolecules 29 (1996) 1006] and Sunada and Blanch [Electrophoresis, 19 (1998) 3128] to describe the electrophoretic mobility of DNA by a transient entanglement coupling mechanism. The proposed model takes into account the interactions between molecules in the capillary and the cross-section of collision between DNA and polymer molecules. The results show that the calculated values agree remarkably well with our electrophoretic mobility data.

  7. Mixing and structural properties of model polymer solutions: Molecular theory and simulation

    NASA Astrophysics Data System (ADS)

    McDaniels, Brian S.

    1999-12-01

    Recent advances in new single-site catalysts continue to fuel an already growing polymer market. As the market increases, a better understanding of polymers becomes critical. The majority of this understanding has been acquired through experimentation. While important, experimentation may be expensive and time consuming. Thus, it is desirable to predict polymer properties from molecular level characteristics. While a large amount of work has been performed in the area of overall properties of pure and mixture fluids, little work has been done in the area of mixing properties. Our initial effort into this area includes investigating the ability of the compressible Flory, generalized Flory dimer, and interpolating equations of state to predict mixing properties of a model polymer system. In determining the accuracy of the equations, Monte Carlo simulations have been performed in the Gibbs ensemble. A problem in the simulation of these systems, limited access to sampling space, has occurred and an established remedy has been discussed. We have determined that the most effective solution to the problem is a combination of conventional moves and the established correction. Predictions of the overall pressure, osmotic pressure, activity coefficient and Flory Chi parameter have been compared with simulation results, good agreement occurs at high densities, long chain lengths, and high chain concentrations except for the compressible Flory equation of state which only provides qualitatively correct predictions for the mixing properties. The structure of the fluid also is discussed. An increase in the packing fraction results in chain contraction. The addition of a monomeric solvent causes solvation in low to medium packing fraction fluids. Because the addition of solvent increases the packing fraction, the chains also contract. The effect of increasing packing fraction is stronger than the addition of solvent. The monomeric solvent forms clusters over the range of

  8. Self-consistent field theory of tethered polymers: One dimensional, three dimensional, strong stretching theories and the effects of excluded-volume-only interactions

    SciTech Connect

    Suo, Tongchuan Whitmore, Mark D.

    2014-11-28

    We examine end-tethered polymers in good solvents, using one- and three-dimensional self-consistent field theory, and strong stretching theories. We also discuss different tethering scenarios, namely, mobile tethers, fixed but random ones, and fixed but ordered ones, and the effects and important limitations of including only binary interactions (excluded volume terms). We find that there is a “mushroom” regime in which the layer thickness is independent of the tethering density, σ, for systems with ordered tethers, but we argue that there is no such plateau for mobile or disordered anchors, nor is there one in the 1D theory. In the other limit of brushes, all approaches predict that the layer thickness scales linearly with N. However, the σ{sup 1/3} scaling is a result of keeping only excluded volume interactions: when the full potential is included, the dependence is faster and more complicated than σ{sup 1/3}. In fact, there does not appear to be any regime in which the layer thickness scales in the combination Nσ{sup 1/3}. We also compare the results for two different solvents with each other, and with earlier Θ solvent results.

  9. Theory for polymer analysis using nanopore-based single-molecule mass spectrometry

    PubMed Central

    Reiner, Joseph E.; Kasianowicz, John J.; Nablo, Brian J.; Robertson, Joseph W. F.

    2010-01-01

    Nanometer-scale pores have demonstrated potential for the electrical detection, quantification, and characterization of molecules for biomedical applications and the chemical analysis of polymers. Despite extensive research in the nanopore sensing field, there is a paucity of theoretical models that incorporate the interactions between chemicals (i.e., solute, solvent, analyte, and nanopore). Here, we develop a model that simultaneously describes both the current blockade depth and residence times caused by individual poly(ethylene glycol) (PEG) molecules in a single α-hemolysin ion channel. Modeling polymer-cation binding leads to a description of two significant effects: a reduction in the mobile cation concentration inside the pore and an increase in the affinity between the polymer and the pore. The model was used to estimate the free energy of formation for K+-PEG inside the nanopore (≈-49.7 meV) and the free energy of PEG partitioning into the nanopore (≈0.76 meV per ethylene glycol monomer). The results suggest that rational, physical models for the analysis of analyte-nanopore interactions will develop the full potential of nanopore-based sensing for chemical and biological applications. PMID:20566890

  10. The Survivable Optics MODIL (Manufacturing Operations Development and Integration Laboratory): Guidelines for forming R and D consortia from the theory of clubs

    SciTech Connect

    Katzman, M.T.; Jones, D.W.

    1990-03-01

    Under the aegis of SDIO, a Survivable Optics Manufacturing Operations Development and Integration Laboratory (MODIL) has been established at ORNL. The purposes of the MODIL are to achieve order-of-magnitude cost reductions in the manufacture of optical components and to contribute to the revitalization of the American optics industry. The MODIL is a federal laboratory-university-industry consortium that sponsors manufacturing R D and aims to transfer this technology to the domestic optics industry by utilizing a manufacturing test bed at ORNL. The purposes of this analysis are: (1) to identify the types of firms that would make the best members of the MODIL, (2) to identify the conditions under which private firms would be willing to participate in the consortium R D, and (3) to indicate conditions under which firms could supplant the Federal government as the source of funding. The conceptual approach is derived from the economic theory of clubs. A review of the literature on R D consortia in the United States and Japan and informal interviews with 18 industrial participants in the MODIL provide the empirical basis for conclusions and recommendations. 41 refs.

  11. Polymer adsorption

    NASA Astrophysics Data System (ADS)

    Joanny, Jean-Francois

    2008-03-01

    The aim of this talk is to review Pierre-Gilles deGennes' work on polymer adsorption and the impact that it has now in our understanding of this problem. We will first present the self-consistent mean-field theory and its applications to adsorption and depletion. De Gennes most important contribution is probably the derivation of the self-similar power law density profile for adsorbed polymer layers that we will present next, emphasizing the differences between the tail sections and the loop sections of the adsorbed polymers. We will then discuss the kinetics of polymer adsorption and the penetration of a new polymer chain in an adsobed layer that DeGennes described very elegantly in analogy with a quantum tunneling problem. Finally, we will discuss the role of polymer adsorption for colloid stabilization.

  12. Failure mechanism of the polymer infiltration of carbon nanotube forests

    NASA Astrophysics Data System (ADS)

    Buchheim, Jakob; Park, Hyung Gyu

    2016-11-01

    Polymer melt infiltration is one of the feasible methods for manufacturing filter membranes out of carbon nanotubes (CNTs) on large scales. Practically, however, its process suffers from low yields, and the mechanism behind this failure is rather poorly understood. Here, we investigate a failure mechanism of polymer melt infiltration of vertical aligned (VA-) CNTs. In penetrating the VA-CNT interstices, polymer melts exert a capillarity-induced attractive force laterally on CNTs at the moving meniscus, leading to locally agglomerated macroscale bunches. Such a large configurational change can deform and distort individual CNTs so much as to cause buckling or breakdown of the alignment. In view of membrane manufacturing, this irreversible distortion of nanotubes is detrimental, as it could block the transport path of the membranes. The failure mechanism of the polymer melt infiltration is largely attributed to steric hindrance and an energy penalty of confined polymer chains. Euler beam theory and scaling analysis affirm that CNTs with low aspect ratio, thick walls and sparse distribution can maintain their vertical alignment. Our results can enrich a mechanistic understanding of the polymer melt infiltration process and offer guidelines to the facile large-scale manufacturing of the CNT-polymer filter membranes.

  13. Polymer-mediated interactions and their effect on the coagulation-fragmentation of nano-colloids: a self-consistent field theory approach.

    PubMed

    Chervanyov, Alexander I

    2015-02-14

    This feature paper reviews our recent efforts to theoretically model the effect of polymer mediated interactions on the coagulation-fragmentation of nano-colloids in different settings encountered in practical systems. The polymer-mediated interactions among nanoparticles play a key role in many biological and technological processes such as red blood cell aggregation, protein crystallization, self-healing of polymer composites, filler reinforcement of rubbers used in tire technology, etc. By developing and making use of the novel potential theory, we investigate several important cases of these interactions acting between nanoparticles in diverse nano-polymer composites. As a demonstration of its practical applicability, we use the developed theory to investigate the effect of polymer mediated interactions on the coagulation-fragmentation of fillers and their kinetic stability in the presence of non-adsorbing and adsorbing polymers. In particular, we use our findings to develop a pragmatic way of evaluating the kinetic stability of nano-filler agglomerates critical for understanding the filler reinforcement of rubbers. Finally, we perform thorough comparison of the present theoretical findings with the available experimental data and simulations.

  14. Mode-coupling theory and polynomial fitting functions: a complex-plane representation of dielectric data on polymers.

    PubMed

    Eliasson, H

    2001-07-01

    Recently, it has been shown that the higher-order A3 and A4 scenarios of the mode-coupling theory (MCT) are in many cases capable of providing a good description of the complicated dielectric spectra often encountered in polymeric systems. In this paper, more data from dielectric measurements on poly(ethylene terephthalate), poly(vinylidene fluoride), Nylon-66, poly(chlorotrifluoroethylene) (PCTFE), and the polymer gel system poly(acrylonitrile)-ethylene carbonate-propylene carbonate are evaluated within the A4 scenario of the MCT. For all these systems, very good agreement is found between the theoretical and experimental spectra. The data analysis is demonstrated to be facilitated considerably by plotting the data in the complex plane whereby the elliptic functions derived from the theory for the frequency-dependent dielectric function can be replaced by polynomials. For PCTFE, the scaling behavior predicted by the MCT could be verified and the temperature dependences of the extracted scaling parameters were found to be consistent with theory.

  15. Implementation of Improved Transverse Shear Calculations and Higher Order Laminate Theory Into Strain Rate Dependent Analyses of Polymer Matrix Composites

    NASA Technical Reports Server (NTRS)

    Zhu, Lin-Fa; Kim, Soo; Chattopadhyay, Aditi; Goldberg, Robert K.

    2004-01-01

    A numerical procedure has been developed to investigate the nonlinear and strain rate dependent deformation response of polymer matrix composite laminated plates under high strain rate impact loadings. A recently developed strength of materials based micromechanics model, incorporating a set of nonlinear, strain rate dependent constitutive equations for the polymer matrix, is extended to account for the transverse shear effects during impact. Four different assumptions of transverse shear deformation are investigated in order to improve the developed strain rate dependent micromechanics model. The validities of these assumptions are investigated using numerical and theoretical approaches. A method to determine through the thickness strain and transverse Poisson's ratio of the composite is developed. The revised micromechanics model is then implemented into a higher order laminated plate theory which is modified to include the effects of inelastic strains. Parametric studies are conducted to investigate the mechanical response of composite plates under high strain rate loadings. Results show the transverse shear stresses cannot be neglected in the impact problem. A significant level of strain rate dependency and material nonlinearity is found in the deformation response of representative composite specimens.

  16. Optimal nanomaterial concentration: harnessing percolation theory to enhance polymer nanocomposite performance

    NASA Astrophysics Data System (ADS)

    Nadiv, Roey; Shtein, Michael; Shachar, Gal; Varenik, Maxim; Regev, Oren

    2017-07-01

    A major challenge in nanocomposite research is to predict the optimal nanomaterial concentration (ONC) yielding a maximal reinforcement in a given property. We present a simple approach to identify the ONC based on our finding that it is typically located in close proximity to an abrupt increase in polymer matrix viscosity, termed the rheological percolation threshold, and thus may be used as an indicator of the ONC. This premise was validated by rheological and fractography studies of composites loaded by nanomaterials including graphene nanoribbons or carbon or tungsten disulfide nanotubes. The correlation between in situ viscosity, the rheological percolation threshold concentration and the nanocomposite fractography demonstrates the utility of the method.

  17. Manufactures' Assistance in the Provision of Training for Employees of Customer-Firms: Theory and a Case Study.

    ERIC Educational Resources Information Center

    Tabbush, Victor Clement

    The study investigates a phenomenon previously ignored in economic literature: the provision of training by manufacturers to the employees of client-firms. The hypothesis employed to explain this form of investment is that training may raise not only a worker's productivity, but also the value placed on the resources for which the training is…

  18. Manufactures' Assistance in the Provision of Training for Employees of Customer-Firms: Theory and a Case Study.

    ERIC Educational Resources Information Center

    Tabbush, Victor Clement

    The study investigates a phenomenon previously ignored in economic literature: the provision of training by manufacturers to the employees of client-firms. The hypothesis employed to explain this form of investment is that training may raise not only a worker's productivity, but also the value placed on the resources for which the training is…

  19. Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

    SciTech Connect

    Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; Prendergast, David; Wang, Cheng

    2016-07-04

    We present that an improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. Finally, we focus on how the combination of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.

  20. Density Functional Theory (DFT) Study of Molecularly Imprinted Polymer (MIP) Methacrylic Acid (MAA) with D-Glucose

    NASA Astrophysics Data System (ADS)

    Wungu, T. D. K.; Marsha, S. E.; Widayani; Suprijadi

    2017-07-01

    In order to find an alternative biosensor material which enables to detect the glucose level, therefore in this study, the interaction between Methacrylic Acid (MAA) based Molecularly Imprinted Polymer (MIP) with D-Glucose is investigated using the Density Functional Theory (DFT). The aim of this study is to determine whether a molecule of the MAA can be functioned as a bio-sensing of glucose. In this calculation, the Gaussian 09 with B3LYP and 631+G(d) basis sets is used to calculate all electronic properties. It is found that the interaction between a molecule of MAA and a molecule of D-Glucose was observed through the shortened distance between the two molecules. The binding energy of MAA/D-glucose and the Mulliken population analysis are investigated for checking possible interaction. From analysis, the MAA based MIP can be used as a bio-sensing material.

  1. Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

    DOE PAGES

    Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; ...

    2016-07-04

    We present that an improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. Finally, we focus on how the combinationmore » of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.« less

  2. Computational conformational antimicrobial analysis developing mechanomolecular theory for polymer biomaterials in materials science and engineering

    NASA Astrophysics Data System (ADS)

    Petersen, Richard C.

    2014-03-01

    Single-bond rotations or pyramidal inversions tend to either hide or expose relative energies that exist for atoms with nonbonding lone-pair electrons. Availability of lone-pair electrons depends on overall molecular electron distributions and differences in the immediate polarity of the surrounding pico/nanoenvironment. Stereochemistry three-dimensional aspects of molecules provide insight into conformations through single-bond rotations with associated lone-pair electrons on oxygen atoms in addition to pyramidal inversions with nitrogen atoms. When electrons are protected, potential energy is sheltered toward an energy minimum value to compatibilize molecularly with nonpolar environments. When electrons are exposed, maximum energy is available toward polar environment interactions. Computational conformational analysis software calculated energy profiles that exist during specific oxygen ether single-bond rotations with easy-to-visualize three-dimensional models for the trichlorinated bisaromatic ether triclosan antimicrobial polymer additive. As shown, fluctuating alternating bond rotations can produce complex interactions between molecules to provide entanglement strength for polymer toughness or alternatively disrupt weak secondary bonds of attraction to lower resin viscosity for new additive properties with nonpolar triclosan as a hydrophobic toughening/wetting agent. Further, bond rotations involving lone-pair electrons by a molecule at a nonpolar-hydrocarbon-membrane/polar-biologic-fluid interface might become sufficiently unstable to provide free mechanomolecular energies to disrupt weaker microbial membranes, for membrane transport of molecules into cells, provide cell signaling/recognition/defense and also generate enzyme mixing to speed reactions.

  3. Computational conformational antimicrobial analysis developing mechanomolecular theory for polymer biomaterials in materials science and engineering.

    PubMed

    Petersen, Richard C

    2014-03-01

    Single-bond rotations or pyramidal inversions tend to either hide or expose relative energies that exist for atoms with nonbonding lone-pair electrons. Availability of lone-pair electrons depends on overall molecular electron distributions and differences in the immediate polarity of the surrounding pico/nanoenvironment. Stereochemistry three-dimensional aspects of molecules provide insight into conformations through single-bond rotations with associated lone-pair electrons on oxygen atoms in addition to pyramidal inversions with nitrogen atoms. When electrons are protected, potential energy is sheltered toward an energy minimum value to compatibilize molecularly with nonpolar environments. When electrons are exposed, maximum energy is available toward polar environment interactions. Computational conformational analysis software calculated energy profiles that exist during specific oxygen ether single-bond rotations with easy-to-visualize three-dimensional models for the trichlorinated bisaromatic ether triclosan antimicrobial polymer additive. As shown, fluctuating alternating bond rotations can produce complex interactions between molecules to provide entanglement strength for polymer toughness or alternatively disrupt weak secondary bonds of attraction to lower resin viscosity for new additive properties with nonpolar triclosan as a hydrophobic toughening/wetting agent. Further, bond rotations involving lone-pair electrons by a molecule at a nonpolar-hydrocarbon-membrane/polar-biologic-fluid interface might become sufficiently unstable to provide free mechanomolecular energies to disrupt weaker microbial membranes, for membrane transport of molecules into cells, provide cell signaling/recognition/defense and also generate enzyme mixing to speed reactions.

  4. Flory radius of polymers in a periodic field: an exact analytic theory.

    PubMed

    Chervanyov, A I; Heinrich, G

    2007-11-01

    We found an exact expression for the Flory radius R (F) of Gaussian polymers placed in an external periodic field. This solution is expressed in terms of the two parameters eta and a that describe the reduced strength of an external field and the period of the field to the polymer gyration radius ratio, respectively. R (F) is found to be a decaying function of eta for any values of a . Provided that the gyration radius is of the order of the period of an external field or less, the ground-state (GS) approximation of the exact result for R (F) is shown to give qualitatively incorrect results. In addition to the "ground-state" contribution, the exact solution for R (F) contains an additional term that is overlooked by the GS approximation. This term gives rise to the fact that R (F) as a function of eta exhibits power law behavior (rather than exponential decay obtained from the GS result) once eta exceeds the threshold value eta(con) .

  5. Computational conformational antimicrobial analysis developing mechanomolecular theory for polymer biomaterials in materials science and engineering

    PubMed Central

    Petersen, Richard C.

    2014-01-01

    Single-bond rotations or pyramidal inversions tend to either hide or expose relative energies that exist for atoms with nonbonding lone-pair electrons. Availability of lone-pair electrons depends on overall molecular electron distributions and differences in the immediate polarity of the surrounding pico/nanoenvironment. Stereochemistry three-dimensional aspects of molecules provide insight into conformations through single-bond rotations with associated lone-pair electrons on oxygen atoms in addition to pyramidal inversions with nitrogen atoms. When electrons are protected, potential energy is sheltered toward an energy minimum value to compatibilize molecularly with nonpolar environments. When electrons are exposed, maximum energy is available toward polar environment interactions. Computational conformational analysis software calculated energy profiles that exist during specific oxygen ether single-bond rotations with easy-to-visualize three-dimensional models for the trichlorinated bisaromatic ether triclosan antimicrobial polymer additive. As shown, fluctuating alternating bond rotations can produce complex interactions between molecules to provide entanglement strength for polymer toughness or alternatively disrupt weak secondary bonds of attraction to lower resin viscosity for new additive properties with nonpolar triclosan as a hydrophobic toughening/wetting agent. Further, bond rotations involving lone-pair electrons by a molecule at a nonpolar-hydrocarbon-membrane/polar-biologic-fluid interface might become sufficiently unstable to provide free mechanomolecular energies to disrupt weaker microbial membranes, for membrane transport of molecules into cells, provide cell signaling/recognition/defense and also generate enzyme mixing to speed reactions. PMID:25598972

  6. Polymer Fluid Dynamics.

    ERIC Educational Resources Information Center

    Bird, R. Byron

    1980-01-01

    Problems in polymer fluid dynamics are described, including development of constitutive equations, rheometry, kinetic theory, flow visualization, heat transfer studies, flows with phase change, two-phase flow, polymer unit operations, and drag reduction. (JN)

  7. Polymer Fluid Dynamics.

    ERIC Educational Resources Information Center

    Bird, R. Byron

    1980-01-01

    Problems in polymer fluid dynamics are described, including development of constitutive equations, rheometry, kinetic theory, flow visualization, heat transfer studies, flows with phase change, two-phase flow, polymer unit operations, and drag reduction. (JN)

  8. Advanced Manufacturing

    DTIC Science & Technology

    2002-01-01

    manufacturing will enable the mass customization of products and create new market opportunities in the commercial sector. Flexible manufacturing ...the mass customization of products and create new market opportunities in the commercial sector. One of the most promising flexible manufacturing ... manufacturing , increase efficiency and productivity. Research in leading edge technologies continues to promise exciting new manufacturing methods

  9. Additive manufacturing of optical components

    NASA Astrophysics Data System (ADS)

    Heinrich, Andreas; Rank, Manuel; Maillard, Philippe; Suckow, Anne; Bauckhage, Yannick; Rößler, Patrick; Lang, Johannes; Shariff, Fatin; Pekrul, Sven

    2016-08-01

    The development of additive manufacturing methods has enlarged rapidly in recent years. Thereby, the work mainly focuses on the realization of mechanical components, but the additive manufacturing technology offers a high potential in the field of optics as well. Owing to new design possibilities, completely new solutions are possible. This article briefly reviews and compares the most important additive manufacturing methods for polymer optics. Additionally, it points out the characteristics of additive manufactured polymer optics. Thereby, surface quality is of crucial importance. In order to improve it, appropriate post-processing steps are necessary (e.g. robot polishing or coating), which will be discussed. An essential part of this paper deals with various additive manufactured optical components and their use, especially in optical systems for shape metrology (e.g. borehole sensor, tilt sensor, freeform surface sensor, fisheye lens). The examples should demonstrate the potentials and limitations of optical components produced by additive manufacturing.

  10. Simulation and theory of self-assembly and network formation in reversibly cross-linked equilibrium polymers

    NASA Astrophysics Data System (ADS)

    Kindt, James T.

    2005-10-01

    A simulation model of hard spheres capable of reversible assembly into chains, which then may reversibly cross-link into networks, has been studied through grand canonical Monte Carlo simulation. Effects of varying intra- and interchain bond strengths, chain flexibilities, and restrictions on cross-linking angle were investigated. Observations including chain-length distributions and phase separation could be captured in most cases using a simple model theory. The coupling of chain growth to cross-linking was shown to be highly sensitive to the treatment of cross-linking by chain ends. In some systems, ladderlike domains of several cross-links joining two chains were common, resulting from cooperativity in the cross-linking. Extended to account for this phenomenon, the model theory predicts that such cooperativity will suppress phase separation in weakly polymerizing chains and at high cross-link concentration. In the present model, cross-linking stabilizes the isotropic phase with respect to the nematic phase, causing a shift in the isotropic-nematic transition to higher monomer concentration than in simple equilibrium polymers.

  11. Functional level-set derivative for a polymer self consistent field theory Hamiltonian

    NASA Astrophysics Data System (ADS)

    Ouaknin, Gaddiel; Laachi, Nabil; Bochkov, Daniil; Delaney, Kris; Fredrickson, Glenn H.; Gibou, Frederic

    2017-09-01

    We derive functional level-set derivatives for the Hamiltonian arising in self-consistent field theory, which are required to solve free boundary problems in the self-assembly of polymeric systems such as block copolymer melts. In particular, we consider Dirichlet, Neumann and Robin boundary conditions. We provide numerical examples that illustrate how these shape derivatives can be used to find equilibrium and metastable structures of block copolymer melts with a free surface in both two and three spatial dimensions.

  12. Optimization of the manufacturing process of a titanium aluminide metal matrix composite using a viscoplastic constitutive theory

    SciTech Connect

    Sherwood, J.A.; Quimby, H.M.

    1996-04-01

    The thermomechanical behavior of a titanium aluminide metal matrix composite reinforced with silicon carbide fibers is computationally investigated to determine an optimum manufacturing process. The investigations are completed using the Ramaswamy-Stouffer constitutive model and the finite element method. Hold times at a given temperature were used in an effort to allow the residual stresses to relax. However, the subsequent temperature changes erased the benefit of such holds. Thermomechanical cycling was determined to be the optimum method for reducing the residual stress field after cooldown from consolidation.

  13. A theory of electrophoresis of emulsion drops in aqueous two-phase polymer systems

    NASA Technical Reports Server (NTRS)

    Levine, S.

    1982-01-01

    An electrophoresis study has been carried out in an emulsion formed from an electrically neutral aqueous mixture of dextran and polyethylene glycol equilibrated at sufficient concentrations in the presence of electrolytes. Electrophoresis of a drop of one phase suspended in the other is observed, and the direction of the drop's motion is reversed when the disperse phase and the continuous phase are interchanged. In the presence of sulfate, phosphate, or citrate ions, an electrostatic potential difference of the order of a few mV exists between the two phases. The potential implied by the direction of the electrophoretic motion is opposite to the Donnan potential observed between the two phases. The mobility of an emulsion drop increases with the drop radius and depends on ion concentration. These results are explained in terms of a model postulating an electric dipole layer associated with a mixture of oriented polymer molecules at the surface of a drop, with a potential difference between the interiors of the two phases resulting from the unequal ion distribution.

  14. A theory of electrophoresis of emulsion drops in aqueous two-phase polymer systems

    NASA Technical Reports Server (NTRS)

    Levine, S.

    1982-01-01

    An electrophoresis study has been carried out in an emulsion formed from an electrically neutral aqueous mixture of dextran and polyethylene glycol equilibrated at sufficient concentrations in the presence of electrolytes. Electrophoresis of a drop of one phase suspended in the other is observed, and the direction of the drop's motion is reversed when the disperse phase and the continuous phase are interchanged. In the presence of sulfate, phosphate, or citrate ions, an electrostatic potential difference of the order of a few mV exists between the two phases. The potential implied by the direction of the electrophoretic motion is opposite to the Donnan potential observed between the two phases. The mobility of an emulsion drop increases with the drop radius and depends on ion concentration. These results are explained in terms of a model postulating an electric dipole layer associated with a mixture of oriented polymer molecules at the surface of a drop, with a potential difference between the interiors of the two phases resulting from the unequal ion distribution.

  15. Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents

    NASA Astrophysics Data System (ADS)

    Mukherji, Debashish; Marques, Carlos M.; Stuehn, Torsten; Kremer, Kurt

    2015-03-01

    Smart polymers are a modern class of polymeric materials that often exhibit unpredictable behavior in mixtures of solvents. One such phenomenon is co-non-solvency. Co-non-solvency occurs when two (perfectly) miscible and competing good solvents, for a given polymer, are mixed together. As a result, the same polymer collapses into a compact globule within intermediate mixing ratios. More interestingly, polymer collapses when the solvent quality remains good and even gets increasingly better by the addition of the better cosolvent. This is a puzzling phenomenon that is driven by strong local concentration fluctuations. Because of the discrete particle based nature of the interactions, Flory-Huggins type mean field arguments become unsuitable. In this work, we extend the analysis of the co-non-solvency effect presented earlier [D. Mukherji et al., Nat. Commun. 5, 4882 (2014)]. We explain why co-non-solvency is a generic phenomenon, which can only be understood by the thermodynamic treatment of the competitive displacement of (co)solvent components. This competition can result in a polymer collapse upon improvement of the solvent quality. Specific chemical details are not required to understand these complex conformational transitions. Therefore, a broad range of polymers are expected to exhibit similar reentrant coil-globule-coil transitions in competing good solvents.

  16. Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory.

    PubMed

    Hele, Timothy J H; Althorpe, Stuart C

    2013-02-28

    Surprisingly, there exists a quantum flux-side time-correlation function which has a non-zero t → 0+ limit and thus yields a rigorous quantum generalization of classical transition-state theory (TST). In this Part I of two articles, we introduce the new time-correlation function and derive its t → 0+ limit. The new ingredient is a generalized Kubo transform which allows the flux and side dividing surfaces to be the same function of path-integral space. Choosing this function to be a single point gives a t → 0+ limit which is identical to an expression introduced on heuristic grounds by Wigner in 1932; however, this expression does not give positive-definite quantum statistics, causing it to fail while still in the shallow-tunnelling regime. Positive-definite quantum statistics is obtained only if the dividing surface is invariant to imaginary-time translation, in which case the t → 0+ limit is identical to ring-polymer molecular dynamics (RPMD) TST. The RPMD-TST rate is not a strict upper bound to the exact quantum rate, but is a good approximation to one if real-time coherence effects are small. Part II will show that the RPMD-TST rate is equal to the exact quantum rate in the absence of recrossing.

  17. Polymer blends

    DOEpatents

    Allen, Scott D.; Naik, Sanjeev

    2017-08-22

    The present invention provides, among other things, extruded blends of aliphatic polycarbonates and polyolefins. In one aspect, provided blends comprise aliphatic polycarbonates such as poly(propylene carbonate) and a lesser amount of a crystalline or semicrystalline polymer. In certain embodiments, provided blends are characterized in that they exhibit unexpected improvements in their elongation properties. In another aspect, the invention provides methods of making such materials and applications of the materials in applications such as the manufacture of consumer packaging materials.

  18. Some aspects of polymer translocation dynamics through nanopore: comparison of recent the theories with simulation results

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Aniket

    2012-02-01

    Translocation of a flexible poymer chain through a narrow pore has still remained an active field of research. Earlier theoretical studies of Sung and Park,ootnotetextW. Sung and P. J. Park, Phys. Rev. Lett. 77, 783 (1996). Muthukumar,ootnotetextM. Muthukumar, J. Chem. Phys. 111, 10371 (1999). Chuang, Kantor and Kardar, Kantor and KardarootnotetextJ. Chuang, Y. Kantor and M. Kardar, Phys. Rev. E 65, 011802 (2001); Y. Kantor and M. Kardar, ibid. 69, 021806 (2004). for a flexible chain have been complemented by more recent theories of SakaueootnotetextT. Sakaue, Phys. Rev. E 76, 021803 (2007); ibid. 81, 041808 (2010). where tension propagation(TP) along the chain backbone at the cis side resulting in a nonuniform stretching of the chain has been proposed to be a key input for theoretical studies. Recently these elements of the TP theory has been incorporated in to a Brownian dynamics (BDTP) scheme and numerical studies of the equations of motion are in excellent agreement with prior simulation studies.ootnotetextT. Ikonen, A. Bhattacharya, T. Ala-Nissila and W. Sung (submitted). A driven translocating chain is essentially out-of-equilibriumootnotetextA. Bhattacharya and Kurt Binder, Phys. Rev. E. 81, 041804 (2010); A. Bhattacharya et al., Eur. Phys. J. E 29, 423 (2009). which results in cis-trans asymmetries both in ocnformations and in dynamics. Therefore, results from theoretical studies should capture these features. In this talk first I will first present results from Langevin dynamics simulation citing several cases where how this cis-trans asymmetry affects the chain conformations and the translocation dynamics. Then I will dicuss relevance of these results in the context of exisiting theories.

  19. Implementation of Higher Order Laminate Theory Into Strain Rate Dependent Micromechanics Analysis of Polymer Matrix Composites

    NASA Technical Reports Server (NTRS)

    Kim, Heung Soo; Zhu, Linfa; Chattopadhyay, Aditi; Goldberg, Robert K.

    2004-01-01

    A procedure has been developed to investigate the nonlinear response of composite plates under large strain and high strain rate loading. A recently developed strain dependent micromechanics model is extended to account for the shear effects during impact. Four different assumptions of shear deformation effects are investigated to improve the development strain rate dependent micromechanics model. A method to determine through the thickness strain and transverse Poisson's ratio is developed. The revised micromechanics model is implemented into higher order laminate theory. Parametric studies are conducted to investigate transverse shear effects during impact.

  20. Manufacturing Success

    ERIC Educational Resources Information Center

    Reese, Susan

    2007-01-01

    According to the National Association of Manufacturers (NAM), "manufacturing is the engine that drives American prosperity". When NAM and its research and education arm, The Manufacturing Institute, released the handbook, "The Facts About Modern Manufacturing," in October 2006, NAM President John Engler noted, that…

  1. Manufacturing Success

    ERIC Educational Resources Information Center

    Reese, Susan

    2007-01-01

    According to the National Association of Manufacturers (NAM), "manufacturing is the engine that drives American prosperity". When NAM and its research and education arm, The Manufacturing Institute, released the handbook, "The Facts About Modern Manufacturing," in October 2006, NAM President John Engler noted, that…

  2. Advances in the generalized entropy theory of glass-formation in polymer melts

    NASA Astrophysics Data System (ADS)

    Dudowicz, Jacek; Douglas, Jack F.; Freed, Karl F.

    2014-12-01

    The generalized entropy theory (GET) of polymeric glass-forming liquids is reformulated into a computationally simpler and more natural formalism than the original version of this theory. The new theoretical framework greatly facilitates establishing essential trends in the dependence of the segmental relaxation time τ, fragility, characteristic temperatures of glass-formation, etc., on the combined influences of monomer molecular structure, chain rigidity, and cohesive interaction strength. Special attention is placed on the estimating the parameters of the phenomenological Vogel-Fulcher-Tammann relations for describing segmental relaxation in diverse liquids in the low temperature range of glass-formation, Tg > T > Tc (or Tg < T < Tg + 100 K), where Tg and Tc are, respectively, the glass transition temperature and the crossover temperature separating the high and low temperature regimes of glass-formation. Finally, we discuss how the molecular energetic interaction parameters of the GET can be estimated from experimental data. Illustrative calculations are performed for the stiffness factor σ and the cohesive energy density u as a first step in this direction.

  3. Conformational Properties of a Polymer in an Ionic Liquid: Computer Simulations and Integral Equation Theory of a Coarse-Grained Model.

    PubMed

    Choi, Eunsong; Yethiraj, Arun

    2015-07-23

    We study the conformational properties of polymers in room temperature ionic liquids using theory and simulations of a coarse-grained model. Atomistic simulations have shown that single poly(ethylene oxide) (PEO) molecules in the ionic liquid 1-butyl 3-methyl imidazolium tetrafluoroborate ([BMIM][BF4]) are expanded at room temperature (i.e., the radius of gyration, Rg), scales with molecular weight, Mw, as Rg ∼ Mw(0.9), instead of the expected self-avoiding walk behavior. The simulations were restricted to fairly short chains, however, which might not be in the true scaling regime. In this work, we investigate a coarse-grained model for the behavior of PEO in [BMIM][BF4]. We use existing force fields for PEO and [BMIM][BF4] and Lorentz–Berthelot mixing rules for the cross interactions. The coarse-grained model predicts that PEO collapses in the ionic liquid. We also present an integral equation theory for the structure of the ionic liquid and the conformation properties of the polymer. The theory is in excellent agreement with the simulation results. We conclude that the properties of polymers in ionic liquids are unusually sensitive to the details of the intermolecular interactions. The integral equation theory is sufficiently accurate to be a useful guide to computational work.

  4. Maier-Saupe model of polymer nematics: Comparing free energies calculated with Self Consistent Field theory and Monte Carlo simulations.

    PubMed

    Greco, Cristina; Jiang, Ying; Chen, Jeff Z Y; Kremer, Kurt; Daoulas, Kostas Ch

    2016-11-14

    Self Consistent Field (SCF) theory serves as an efficient tool for studying mesoscale structure and thermodynamics of polymeric liquid crystals (LC). We investigate how some of the intrinsic approximations of SCF affect the description of the thermodynamics of polymeric LC, using a coarse-grained model. Polymer nematics are represented as discrete worm-like chains (WLC) where non-bonded interactions are defined combining an isotropic repulsive and an anisotropic attractive Maier-Saupe (MS) potential. The range of the potentials, σ, controls the strength of correlations due to non-bonded interactions. Increasing σ (which can be seen as an increase of coarse-graining) while preserving the integrated strength of the potentials reduces correlations. The model is studied with particle-based Monte Carlo (MC) simulations and SCF theory which uses partial enumeration to describe discrete WLC. In MC simulations the Helmholtz free energy is calculated as a function of strength of MS interactions to obtain reference thermodynamic data. To calculate the free energy of the nematic branch with respect to the disordered melt, we employ a special thermodynamic integration (TI) scheme invoking an external field to bypass the first-order isotropic-nematic transition. Methodological aspects which have not been discussed in earlier implementations of the TI to LC are considered. Special attention is given to the rotational Goldstone mode. The free-energy landscape in MC and SCF is directly compared. For moderate σ the differences highlight the importance of local non-bonded orientation correlations between segments, which SCF neglects. Simple renormalization of parameters in SCF cannot compensate the missing correlations. Increasing σ reduces correlations and SCF reproduces well the free energy in MC simulations.

  5. Maier-Saupe model of polymer nematics: Comparing free energies calculated with Self Consistent Field theory and Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Greco, Cristina; Jiang, Ying; Chen, Jeff Z. Y.; Kremer, Kurt; Daoulas, Kostas Ch.

    2016-11-01

    Self Consistent Field (SCF) theory serves as an efficient tool for studying mesoscale structure and thermodynamics of polymeric liquid crystals (LC). We investigate how some of the intrinsic approximations of SCF affect the description of the thermodynamics of polymeric LC, using a coarse-grained model. Polymer nematics are represented as discrete worm-like chains (WLC) where non-bonded interactions are defined combining an isotropic repulsive and an anisotropic attractive Maier-Saupe (MS) potential. The range of the potentials, σ, controls the strength of correlations due to non-bonded interactions. Increasing σ (which can be seen as an increase of coarse-graining) while preserving the integrated strength of the potentials reduces correlations. The model is studied with particle-based Monte Carlo (MC) simulations and SCF theory which uses partial enumeration to describe discrete WLC. In MC simulations the Helmholtz free energy is calculated as a function of strength of MS interactions to obtain reference thermodynamic data. To calculate the free energy of the nematic branch with respect to the disordered melt, we employ a special thermodynamic integration (TI) scheme invoking an external field to bypass the first-order isotropic-nematic transition. Methodological aspects which have not been discussed in earlier implementations of the TI to LC are considered. Special attention is given to the rotational Goldstone mode. The free-energy landscape in MC and SCF is directly compared. For moderate σ the differences highlight the importance of local non-bonded orientation correlations between segments, which SCF neglects. Simple renormalization of parameters in SCF cannot compensate the missing correlations. Increasing σ reduces correlations and SCF reproduces well the free energy in MC simulations.

  6. Statistical Continuum Theory for the Effective Conductivity of Fiber Filled Polymer Composites: Effect of Orientation Distribution and Aspect Ratio

    SciTech Connect

    Mikdam, Amed; Makradi, A.; Ahzi, Said; Garmestani, Hamid; Li, Dongsheng; Remond, Y.

    2010-03-01

    Effective conductivity of polymer composites, filled with conducting fibers such as carbon nanotubes, is studied using statistical continuum theory. The fiber orientation distribution in the matrix plays a very important role on their effective properties. To take into account their orientation, shape and distribution, two-point and three-point probability distribution functions are used. The effect of fibers orientation is illustrated by comparing the effective conductivity of microstructures with oriented and non-oriented fibers. The randomly oriented fibers result in an isotropic effective conductivity. The increased fiber orientation distribution can lead to higher anisotropy in conductivity. The effect of fiber’s aspect ratio on the effective conductivity is studied by comparing microstructures with varying degrees of fiber orientation distribution. Results show that the increase in anisotropy leads to higher conductivity in the maximum fiber orientation distribution direction and lower conductivity in the transverse direction. These results are in agreement with various models from the literature that show the increase of the aspect ratio of fibers improves the electrical and thermal conductivity.

  7. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of Gallic acid imprinted polymers

    NASA Astrophysics Data System (ADS)

    Pardeshi, Sushma; Dhodapkar, Rita; Kumar, Anupama

    2013-12-01

    Gallic acid (GA) is known by its antioxidant, anticarcinogenic properties and scavenger activity against several types of harmful free radicals. Molecularly imprinted polymers (MIPs) are used in separation of a pure compound from complex matrices. A stable template-monomer complex generates the MIPs with the highest affinity and selectivity for the template. The quantum chemical computations based on density functional theory (DFT) was used on the template Gallic acid (GA), monomer acrylic acid (AA) and GA-AA complex to study the nature of interactions involved in the GA-AA complex. B3LYP/6-31+G(2d,2p) model chemistry was used to optimize their structures and frequency calculations. The effect of porogen acetonitrile (ACN) on complex formation was included by using polarizable continuum model (PCM). The results demonstrated the formation of a stable GA-AA complex through the intermolecular hydrogen bonding between carboxylic acid groups of GA and AA. The Mulliken atomic charge analysis and simulated vibrational spectra also supported the stable hydrogen bonding interaction between the carboxylic acid groups of GA and AA with minimal interference of porogen ACN. Further, simulations on GA-AA mole ratio revealed that 1:4 GA-AA was optimum for synthesis of MIP for GA.

  8. Polymer concrete patching manual

    NASA Astrophysics Data System (ADS)

    Fontana, J. J.; Bartholomew, J.

    1982-06-01

    The practicality of using polymer concrete to repair deteriorated portland cement concrete bridge decks and pavements was demonstrated. This manual outlines the procedures for using polymer concrete as a rapid patching material to repair deteriorated concrete. The process technology, materials, equipment, and safety provisions used in manufacturing and placing polymer concrete are discussed. Potential users are informed of the various steps necessary to insure successful field applications of the material.

  9. Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory

    NASA Astrophysics Data System (ADS)

    Du, Chunmiao; Ji, Yujin; Xue, Junwei; Hou, Tingjun; Tang, Jianxin; Lee, Shuit-Tong; Li, Youyong

    2015-11-01

    The morphology of active layers in the bulk heterojunction (BHJ) solar cells is critical to the performance of organic photovoltaics (OPV). Currently, there is limited information for the morphology from transmission electron microscopy (TEM) techniques. Meanwhile, there are limited approaches to predict the morphology /efficiency of OPV. Here we use Dissipative Particle Dynamics (DPD) to determine 3D morphology of BHJ solar cells and show DPD to be an efficient approach to predict the 3D morphology. Based on the 3D morphology, we estimate the performance indicator of BHJ solar cells by using graph theory. Specifically, we study poly (3-hexylthiophene)/[6, 6]-phenyl-C61butyric acid methyl ester (P3HT/PCBM) BHJ solar cells. We find that, when the volume fraction of PCBM is in the region 0.4 ∼ 0.5, P3HT/PCBM will show bi-continuous morphology and optimum performance, consistent with experimental results. Further, the optimum temperature (413 K) for the morphology and performance of P3HT/PCBM is in accord with annealing results. We find that solvent additive plays a critical role in the desolvation process of P3HT/PCBM BHJ solar cell. Our approach provides a direct method to predict dynamic 3D morphology and performance indicator for BHJ solar cells.

  10. Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory

    PubMed Central

    Du, Chunmiao; Ji, Yujin; Xue, Junwei; Hou, Tingjun; Tang, Jianxin; Lee, Shuit-Tong; Li, Youyong

    2015-01-01

    The morphology of active layers in the bulk heterojunction (BHJ) solar cells is critical to the performance of organic photovoltaics (OPV). Currently, there is limited information for the morphology from transmission electron microscopy (TEM) techniques. Meanwhile, there are limited approaches to predict the morphology /efficiency of OPV. Here we use Dissipative Particle Dynamics (DPD) to determine 3D morphology of BHJ solar cells and show DPD to be an efficient approach to predict the 3D morphology. Based on the 3D morphology, we estimate the performance indicator of BHJ solar cells by using graph theory. Specifically, we study poly (3-hexylthiophene)/[6, 6]-phenyl-C61butyric acid methyl ester (P3HT/PCBM) BHJ solar cells. We find that, when the volume fraction of PCBM is in the region 0.4 ∼ 0.5, P3HT/PCBM will show bi-continuous morphology and optimum performance, consistent with experimental results. Further, the optimum temperature (413 K) for the morphology and performance of P3HT/PCBM is in accord with annealing results. We find that solvent additive plays a critical role in the desolvation process of P3HT/PCBM BHJ solar cell. Our approach provides a direct method to predict dynamic 3D morphology and performance indicator for BHJ solar cells. PMID:26581407

  11. Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory.

    PubMed

    Du, Chunmiao; Ji, Yujin; Xue, Junwei; Hou, Tingjun; Tang, Jianxin; Lee, Shuit-Tong; Li, Youyong

    2015-11-19

    The morphology of active layers in the bulk heterojunction (BHJ) solar cells is critical to the performance of organic photovoltaics (OPV). Currently, there is limited information for the morphology from transmission electron microscopy (TEM) techniques. Meanwhile, there are limited approaches to predict the morphology /efficiency of OPV. Here we use Dissipative Particle Dynamics (DPD) to determine 3D morphology of BHJ solar cells and show DPD to be an efficient approach to predict the 3D morphology. Based on the 3D morphology, we estimate the performance indicator of BHJ solar cells by using graph theory. Specifically, we study poly (3-hexylthiophene)/[6, 6]-phenyl-C61butyric acid methyl ester (P3HT/PCBM) BHJ solar cells. We find that, when the volume fraction of PCBM is in the region 0.4 ∼ 0.5, P3HT/PCBM will show bi-continuous morphology and optimum performance, consistent with experimental results. Further, the optimum temperature (413 K) for the morphology and performance of P3HT/PCBM is in accord with annealing results. We find that solvent additive plays a critical role in the desolvation process of P3HT/PCBM BHJ solar cell. Our approach provides a direct method to predict dynamic 3D morphology and performance indicator for BHJ solar cells.

  12. Photovoltaic manufacturing technology monolithic amorphous silicon modules on continuous polymer substrates. Annual technical progress report, July 5, 1996--December 31, 1997

    SciTech Connect

    Jeffrey, F.

    1998-08-01

    Iowa Thin Film Technologies, Inc.`s (ITF) goal is to develop the most cost effective PV manufacturing process possible. To this end the authors have chosen a roll based manufacturing process with continuous deposition and monolithic integration. Work under this program is designed to meet this goal by improving manufacturing throughput and performance of the manufactured devices. Significant progress was made during Phase 2 of this program on a number of fronts. A new single pass tandem deposition machine was brought on line which allows greatly increased and improved throughput for rolls of tandem material. The TCO deposition process was improved resulting in an increase in throughput by 20%. A new alignment method was implemented on the printing process which improves throughput six fold while improving alignment from 100 {micro}m to 10 {micro}m. A roll based lamination procedure was developed and implemented on selected products which improves throughput from 20 sq. ft./hr. to 240 sq. ft./hr. A wide range of lower cost encapsulants were evaluated. A promising material was selected initially to be introduced in 5 year lifetime type products. The sum of these improvements bring the overall cost reduction resulting from this program to 49%.

  13. Influence of Layup and Curing on the Surface Accuracy in the Manufacturing of Carbon Fiber Reinforced Polymer (CFRP) Composite Space Mirrors

    NASA Astrophysics Data System (ADS)

    Yang, Zhiyong; Zhang, Jianbao; Xie, Yongjie; Zhang, Boming; Sun, Baogang; Guo, Hongjun

    2017-03-01

    Carbon fiber reinforced polymer, CFRP, composite materials have been used to fabricate space mirror. Usually the composite space mirror can completely replicate the high-precision surface of mould by replication process, but the actual surface accuracy of replicated space mirror is always reduced, still needed further study. We emphatically studied the error caused by layup and curing on the surface accuracy of space mirror through comparative experiments and analyses, the layup and curing influence factors include curing temperature, cooling rate of curing, method of prepreg lay-up, and area weight of fiber. Focusing on the four factors, we analyzed the error influence rule and put forward corresponding control measures to improve the surface figure of space mirror. For comparative analysis, six CFRP composite mirrors were fabricated and surface profile of mirrors were measured. Four guiding control measures were described here. Curing process of composite space mirror is our next focus.

  14. Cable manufacture

    NASA Technical Reports Server (NTRS)

    Gamble, P.

    1972-01-01

    A survey is presented of flat electrical cable manufacturing, with particular reference to patented processes. The economics of manufacture based on an analysis of material and operating costs is considered for the various methods. Attention is given to the competitive advantages of the several processes and their resulting products. The historical area of flat cable manufacture is presented to give a frame of reference for the survey.

  15. Photovoltaic manufacturing technology monolithic amorphous silicon modules on continuous polymer substrates. Annual technical progress report, 5 July 1995--4 June 1996

    SciTech Connect

    Jeffrey, F

    1997-02-01

    Iowa Thin Film Technologies` goal is to develop the most cost-effective photovoltaic manufacturing process possible. During the first year, they developed the capability of sputtering a high-quality (Zn(Al)O) successfully implemented increased deposition rates for the ZnO top contact deposition; improved registration and ink-line width to reduce area loss due to interconnects; developed a new alignment process and sensor to improve the speed and accuracy of registration for the patterning processes; developed a new Silver ink composition that allows finer print lines and lower series resistance; demonstrated an 8% overall improvement in area utilization; evaluated water-based insulator inks for compatibility with their processes; investigated and tested the use of roll-based lamination as a means to reduce the cost of assembly; developed straight roll lamination capability using pressure-sensitive adhesives and thermally activated bonding; and evaluated the use of the standard EVA/Tefzel encapsulant with a roll laminator.

  16. A hybrid method for predicting the microstructure of polymers with complex architecture: combination of single-chain simulation with density functional theory.

    PubMed

    Cao, Dapeng; Jiang, Tao; Wu, Jianzhong

    2006-04-28

    A hybrid method is proposed to investigate the microstructure of various polymeric fluids confined between two parallel surfaces. The hybrid method combines a single-chain Monte Carlo (MC) simulation for the ideal-gas part of the Helmholtz energy and a density functional theory (DFT) for the excess part that arises from nonbonded intersegment interactions. The latter consists of a modified fundamental measure theory for excluded-volume effect, the first-order thermodynamics perturbation theory for chain connectivity, and a mean-field approximation for the van der Waals attraction. In comparison with a conventional DFT, the hybrid method avoids calculation of the time-consuming recursive functions and is directly applicable to polymers with arbitrary molecular architecture. Its numerical performance has been validated by extensive comparisons with MC data for the density distributions of totally flexible, semiflexible, or rigid polymers and those with starlike architecture. Special attention is also given to the formation of a nematic monolayer by rigid molecules laying perpendicular to a planar surface. The hybrid method predicts the surface pressure versus surface coverage in good agreement with experiment.

  17. Task 1: Modeling Study of CO Effects on Polymer Electrolyte Fuel Cell Anodes Task 2: Study of Ac Impedance as Membrane/Electrode Manufacturing Diagnostic Tool

    SciTech Connect

    Thomas E. Springer

    1998-01-30

    Carbon monoxide poisoning of polymer electrolyte fuel cell anodes is a key problem to be overcome when operating a polymer electrolyte fuel cell (PEFC) on reformed fuels. CO adsorbs preferentially on the precious metal surface leading to substantial performance losses. Some recent work has explored this problem, primarily using various Pt alloys in attempts to lower the degree of surface deactivation. In their studies of hydrogen oxidation on Pt and Pt alloy (Pt/Sn, Pt/Ru) rotating disk electrodes exposed to H{sub 2}/CO mixtures, Gasteiger et al. showed that a small hydrogen oxidation current is observed well before the onset of major CO oxidative stripping (ca. 0.4 V) on Pt/Ru. However, these workers concluded that such current observed at low anode overpotentials was too low to be of practical value. Nonetheless, MST-11 researchers and others have found experimentally that it is possible to run a PEFC, e.g., with a Pt/Ru anode, in the presence of CO levels in the range 10--100 ppm with little voltage loss. Such experimental results suggest that, in fact, PEFC operation at significant current densities under low anode overpotentials is possible in the presence of such levels of CO, even before resorting to air bleeding into the anode feed stream. The latter approach has been shown to be effective in elimination of Pt anode catalyst poisoning effects at CO levels of 20--50 ppm for cells operating at 80 C with low Pt catalyst loading. The effect of oxygen bleeding is basically to lower P{sub CO} down to extremely low levels in the anode plenum thanks to the catalytic (chemical) oxidation of CO by dioxygen at the anode catalyst. In this modeling work the authors do not include specific description of oxygen bleeding effects and concentrate on the behavior of the anode with feed streams of H{sub 2} or reformate containing low levels of CO. The anode loss is treated in this work as a hydrogen and carbon monoxide electrode kinetics problem, but includes the effects of

  18. Manufacturing technologies

    SciTech Connect

    1995-09-01

    The Manufacturing Technologies Center is an integral part of Sandia National Laboratories, a multiprogram engineering and science laboratory, operated for the Department of Energy (DOE) with major facilities at Albuquerque, New Mexico, and Livermore, California. Our Center is at the core of Sandia`s Advanced Manufacturing effort which spans the entire product realization process.

  19. Manufacturing Technology.

    ERIC Educational Resources Information Center

    Barnes, James L.

    This curriculum guide is designed to assist junior high school industrial arts teachers in planning new courses and revising existing courses in manufacturing technology. Addressed in the individual units of the guide are the following topics: introduction to manufacturing, materials processing, personnel management, production management,…

  20. Polymer Functionalized Nanoparticles in Polymer Nanocomposites

    NASA Astrophysics Data System (ADS)

    Jayaraman, Arthi

    2013-03-01

    Significant interest has grown around the ability to control spatial arrangement of nanoparticles in a polymer nanocomposite to engineer materials with target properties. Past work has shown that one could achieve controlled assembly of nanoparticles in the polymer matrix by functionalizing nanoparticle surfaces with homopolymers. This talk will focus on our recent work using Polymer Reference Interaction Site Model (PRISM) theory and Monte Carlo simulations and GPU-based molecular dynamics simulations to specifically understand how heterogeneity in the polymer functionalization in the form of a) copolymers with varying monomer chemistry and monomer sequence, and b) polydispersity in homopolymer grafts can tune effective interactions between functionalized nanoparticles, and the assembly of functionalized nanoparticles.

  1. Development of biodegradable polymer based tamoxifen citrate loaded nanoparticles and effect of some manufacturing process parameters on them: a physicochemical and in-vitro evaluation

    PubMed Central

    Sahana, Basudev; Santra, Kousik; Basu, Sumit; Mukherjee, Biswajit

    2010-01-01

    The aim of the present study was to develop nanoparticles of tamoxifen citrate, a non-steroidal antiestrogenic drug used for the treatment of breast cancer. Biodegradable poly (D, L- lactide-co-glycolide)-85:15 (PLGA) was used to develop nanoparticles of tamoxifen citrate by multiple emulsification (w/o/w) and solvent evaporation technique. Drug-polymer ratio, polyvinyl alcohol concentrations, and homogenizing speeds were varied at different stages of preparation to optimize the desired size and release profile of drug. The characterization of particle morphology and shape was performed by field emission scanning electron microscope (FE-SEM) and particle size distribution patterns were studied by direct light scattering method using zeta sizer. In vitro drug release study showed that release profile of tamoxifen from biodegradable nanoparticles varied due to the change in speed of centrifugation for separation. Drug loading efficiency varied from 18.60% to 71.98%. The FE-SEM study showed that biodegradable nanoparticles were smooth and spherical in shape. The stability studies of tamoxifen citrate in the experimental nanoparticles showed the structural integrity of tamoxifen citrate in PLGA nanoparticles up to 60°C in the tested temperatures. Nanoparticles containing tamoxifen citrate could be useful for the controlled delivery of the drug for a prolonged period. PMID:20856837

  2. Development of biodegradable polymer based tamoxifen citrate loaded nanoparticles and effect of some manufacturing process parameters on them: a physicochemical and in-vitro evaluation.

    PubMed

    Sahana, Basudev; Santra, Kousik; Basu, Sumit; Mukherjee, Biswajit

    2010-09-07

    The aim of the present study was to develop nanoparticles of tamoxifen citrate, a non-steroidal antiestrogenic drug used for the treatment of breast cancer. Biodegradable poly (D, L- lactide-co-glycolide)-85:15 (PLGA) was used to develop nanoparticles of tamoxifen citrate by multiple emulsification (w/o/w) and solvent evaporation technique. Drug-polymer ratio, polyvinyl alcohol concentrations, and homogenizing speeds were varied at different stages of preparation to optimize the desired size and release profile of drug. The characterization of particle morphology and shape was performed by field emission scanning electron microscope (FE-SEM) and particle size distribution patterns were studied by direct light scattering method using zeta sizer. In vitro drug release study showed that release profile of tamoxifen from biodegradable nanoparticles varied due to the change in speed of centrifugation for separation. Drug loading efficiency varied from 18.60% to 71.98%. The FE-SEM study showed that biodegradable nanoparticles were smooth and spherical in shape. The stability studies of tamoxifen citrate in the experimental nanoparticles showed the structural integrity of tamoxifen citrate in PLGA nanoparticles up to 60°C in the tested temperatures. Nanoparticles containing tamoxifen citrate could be useful for the controlled delivery of the drug for a prolonged period.

  3. Analytic theory of the adsorption-desorption transition of Gaussian polymers interacting with a periodic lattice of adsorbing centers.

    PubMed

    Chervanyov, A I; Heinrich, G

    2008-08-21

    Based on the obtained exact analytic solution, we calculate the adsorption-desorption diagram that describes the adsorption of Gaussian polymers onto a rigid surface that bears a periodic array of the adsorbing centers. It is shown that the polymer adsorption onto this substrate is fully governed by a delicate balance between the entropic depletion repulsion of polymers from the rigid surface and their attraction to the adsorbing centers. Magnitudes of these competitive effects are calculated in terms of the reduced overall affinity of the substrate eta(-1) and the reduced separation between the adsorbing centers d. The calculated exact adsorption-desorption diagram eta(d) that describes the equilibrium between the above depletion and adsorption interactions, is shown to obey the scaling law eta approximately d(-1.17).

  4. Surface modification of carbon nanotubes using 3-aminopropyltriethoxysilane to improve mechanical properties of nanocomposite based polymer matrix: Experimental and Density functional theory study

    NASA Astrophysics Data System (ADS)

    Hamed Mashhadzadeh, A.; Fereidoon, Ab.; Ghorbanzadeh Ahangari, M.

    2017-10-01

    In current study we combined theoretical and experimental studies to evaluate the effect of functionalization and silanization on mechanical behavior of polymer-based/CNT nanocomposites. Epoxy was selected as thermoset polymer, polypropylene and poly vinyl chloride were selected as thermoplastic polymers. The whole procedure is divided to two sections . At first we applied density functional theory (DFT) to analyze the effect of functionalization on equilibrium distance and adsorption energy of unmodified, functionalized by sbnd OH group and silanized epoxy/CNT, PP/CNT and PVC/CNT nanocomposites and the results showed that functionalization increased adsorption energy and reduced the equilibrium distance in all studied nanocomposites and silanization had higher effect comparing to OH functionalizing. Then we prepared experimental samples of all mentioned nanocomposites and tested their tensile and flexural strength properties. The obtained results showed that functionalization increased the studied mechanical properties in all evaluated nanocomposites. Finally we compared the results of experimental and theoretical sections with each other and estimated a suitable agreement between these parts.

  5. Manufacturing technology

    SciTech Connect

    Blaedel, K.L.

    1997-02-01

    The specific goals of the Manufacturing Technology thrust area are to develop an understanding of fundamental fabrication processes, to construct general purpose process models that will have wide applicability, to document our findings and models in journals, to transfer technology to LLNL programs, industry, and colleagues, and to develop continuing relationships with industrial and academic communities to advance our collective understanding of fabrication processes. Advances in four projects are described here, namely Design of a Precision Saw for Manufacturing, Deposition of Boron Nitride Films via PVD, Manufacturing and Coating by Kinetic Energy Metallization, and Magnet Design and Application.

  6. Smart Manufacturing.

    PubMed

    Davis, Jim; Edgar, Thomas; Graybill, Robert; Korambath, Prakashan; Schott, Brian; Swink, Denise; Wang, Jianwu; Wetzel, Jim

    2015-01-01

    Historic manufacturing enterprises based on vertically optimized companies, practices, market share, and competitiveness are giving way to enterprises that are responsive across an entire value chain to demand dynamic markets and customized product value adds; increased expectations for environmental sustainability, reduced energy usage, and zero incidents; and faster technology and product adoption. Agile innovation and manufacturing combined with radically increased productivity become engines for competitiveness and reinvestment, not simply for decreased cost. A focus on agility, productivity, energy, and environmental sustainability produces opportunities that are far beyond reducing market volatility. Agility directly impacts innovation, time-to-market, and faster, broader exploration of the trade space. These changes, the forces driving them, and new network-based information technologies offering unprecedented insights and analysis are motivating the advent of smart manufacturing and new information technology infrastructure for manufacturing.

  7. Processing, Characterization, and Modeling of Polymer/Clay Nanocomposite Foams

    NASA Astrophysics Data System (ADS)

    Jo, Choonghee; Naguib, Hani E.

    2007-04-01

    The effects of the material parameters and processing conditions on the foam morphologies, and mechanical properties of polymer/clay nanocomposite foams were studied. Microcellular closed-cell nanocomposite foams were manufactured with poly(methylmethacrylate) (PMMA) and high density polyethylene (HDPE), where the nanoclay loadings of 0.5, 1.0, and 2.0 wt% were used. The effect of clay contents and foaming conditions on the volume expansion ratio, cell size, elastic modulus, tensile strength, and elongation at break were investigated and compared between amorphous and semicrystalline polymers. An elastic modulus model for tensile behavior of foams was proposed by using the micromechanics theory. The model was expressed in terms of microstructural properties of polymer and physical properties of the foams. The tensile experimental data of the foams were compared with those predicted by the theoretical model.

  8. Thermodynamics of polymer nematics described with a worm-like chain model: particle-based simulations and SCF theory calculations

    NASA Astrophysics Data System (ADS)

    Greco, Cristina; Yiang, Ying; Kremer, Kurt; Chen, Jeff; Daoulas, Kostas

    Polymer liquid crystals, apart from traditional applications as high strength materials, are important for new technologies, e.g. Organic Electronics. Their studies often invoke mesoscale models, parameterized to reproduce thermodynamic properties of the real material. Such top-down strategies require advanced simulation techniques, predicting accurately the thermodynamics of mesoscale models as a function of characteristic features and parameters. Here a recently developed model describing nematic polymers as worm-like chains interacting with soft directional potentials is considered. We present a special thermodynamic integration scheme delivering free energies in particle-based Monte Carlo simulations of this model, avoiding thermodynamic singularities. Conformational and structural properties, as well as Helmholtz free energies are reported as a function of interaction strength. They are compared with state-of-art SCF calculations invoking a continuum analog of the same model, demonstrating the role of liquid-packing and fluctuations.

  9. Characterizing metal coordination environments in porous organic polymers: a joint density functional theory and experimental infrared spectroscopy study.

    PubMed

    López-Encarnación, Juan M; Tanabe, Kristine K; Johnson, Marc J A; Jellinek, Julius

    2013-10-04

    Very POP right now! DFT computational analysis on the structural, energetic, and IR spectroscopic characteristics of a porous organic polymer support, [Ta(NMe2 )5 ] as a molecular precursor, and the catalytic material synthesized from these two components are presented and analyzed against recorded IR spectra of these systems. The analysis leads to unambiguous identification of the atomic structure of the POP-supported Ta-amide reaction center synthesized in the experiment.

  10. Energy-level alignment and open-circuit voltage at graphene/polymer interfaces: theory and experiment

    NASA Astrophysics Data System (ADS)

    Noori, Keian; Konios, Dimitrios; Stylianakis, Minas M.; Kymakis, Emmanuel; Giustino, Feliciano

    2016-03-01

    Functionalized graphene promises to become a key component of novel solar cell architectures, owing to its versatile ability to act either as transparent conductor, electron acceptor, or buffer layer. In spite of this promise, the solar energy conversion efficiency of graphene-based devices falls short of the performance of competing solution-processable photovoltaic technologies. Here we address the question of the maximum achievable open-circuit voltage of all-organic graphene: polymer solar cells using a combined theoretical/experimental approach, going from the atomic scale level to the device level. Our calculations on very large atomistic models of the graphene/polymer interface indicate that the ideal open-circuit voltage approaches one volt, and that epoxide functional groups can have a dramatic effect on the photovoltage. Our predictions are confirmed by direct measurements on complete devices where we control the concentration of functional groups via chemical reduction. Our findings indicate that the selective removal of epoxide groups and the use of ultradisperse polymers are key to achieving graphene solar cells with improved energy conversion efficiency.

  11. Microgravity Manufacturing Via Fused Deposition

    NASA Technical Reports Server (NTRS)

    Cooper, K. G.; Griffin, M. R.

    2003-01-01

    Manufacturing polymer hardware during space flight is currently outside the state of the art. A process called fused deposition modeling (FDM) can make this approach a reality by producing net-shaped components of polymer materials directly from a CAE model. FDM is a rapid prototyping process developed by Stratasys, Inc.. which deposits a fine line of semi-molten polymer onto a substrate while moving via computer control to form the cross-sectional shape of the part it is building. The build platen is then lowered and the process is repeated, building a component directly layer by layer. This method enables direct net-shaped production of polymer components directly from a computer file. The layered manufacturing process allows for the manufacture of complex shapes and internal cavities otherwise impossible to machine. This task demonstrated the benefits of the FDM technique to quickly and inexpensively produce replacement components or repair broken hardware in a Space Shuttle or Space Station environment. The intent of the task was to develop and fabricate an FDM system that was lightweight, compact, and required minimum power consumption to fabricate ABS plastic hardware in microgravity. The final product of the shortened task turned out to be a ground-based breadboard device, demonstrating miniaturization capability of the system.

  12. Viscoelastic Properties of Polymer Blends

    NASA Technical Reports Server (NTRS)

    Hong, S. D.; Moacanin, J.; Soong, D.

    1982-01-01

    Viscosity, shear modulus and other viscoelastic properties of multicomponent polymer blends are predicted from behavior of individual components, using a mathematical model. Model is extension of two-component-blend model based on Rouse-Bueche-Zimm theory of polymer viscoelasticity. Extension assumes that probabilities of forming various possible intracomponent and intercomponent entanglements among polymer molecules are proportional to relative abundances of components.

  13. Manufacturing requirements

    NASA Technical Reports Server (NTRS)

    Holmes, Bruce J.; Obara, Clifford J.; Martin, Glen L.; Domack, Christopher S.

    1986-01-01

    In recent years, natural laminar flow (NLF) has been proven to be achievable on modern smooth airframe surfaces over a range of cruise flight conditions representative of most current business and commuter aircraft. Published waviness and boundary layer transition measurements on several modern metal and composite airframes have demonstrated the fact that achievable surface waviness is readily compatible with laminar flow requirements. Currently, the principal challenge to the manufacture of NLF-compatible surfaces is two-dimensional roughness in the form of steps and gaps at structural joints. Results of recent NASA investigations on manufacturing tolerances for NLF surfaces, including results of a flight experiment are given. Based on recent research, recommendations are given for conservative manufacturing tolerances for waviness and shaped steps.

  14. Polymer films

    DOEpatents

    Granick, Steve; Sukhishvili, Svetlana A.

    2008-12-30

    A film contains a first polymer having a plurality of hydrogen bond donating moieties, and a second polymer having a plurality of hydrogen bond accepting moieties. The second polymer is hydrogen bonded to the first polymer.

  15. Polymer films

    DOEpatents

    Granick, Steve; Sukhishvili, Svetlana A.

    2004-05-25

    A film contains a first polymer having a plurality of hydrogen bond donating moieties, and a second polymer having a plurality of hydrogen bond accepting moieties. The second polymer is hydrogen bonded to the first polymer.

  16. The Economics of Big Area Addtiive Manufacturing

    SciTech Connect

    Post, Brian; Lloyd, Peter D; Lindahl, John; Lind, Randall F; Love, Lonnie J; Kunc, Vlastimil

    2016-01-01

    Case studies on the economics of Additive Manufacturing (AM) suggest that processing time is the dominant cost in manufacturing. Most additive processes have similar performance metrics: small part sizes, low production rates and expensive feedstocks. Big Area Additive Manufacturing is based on transitioning polymer extrusion technology from a wire to a pellet feedstock. Utilizing pellets significantly increases deposition speed and lowers material cost by utilizing low cost injection molding feedstock. The use of carbon fiber reinforced polymers eliminates the need for a heated chamber, significantly reducing machine power requirements and size constraints. We hypothesize that the increase in productivity coupled with decrease in feedstock and energy costs will enable AM to become more competitive with conventional manufacturing processes for many applications. As a test case, we compare the cost of using traditional fused deposition modeling (FDM) with BAAM for additively manufacturing composite tooling.

  17. Polymer infiltration studies

    NASA Technical Reports Server (NTRS)

    Marchello, Joseph M.

    1992-01-01

    The preparation is reported of carbon fiber composites using advanced polymer resins. Current and ongoing research activities include: powder towpreg process; weaving, braiding and stitching dry powder prepreg; advanced tow placement; and customized ATP towpreg. The goal of these studies is to produce advanced composite materials for automated part fabrication using textile and robotics technology in the manufacture of subsonic and supersonic aircraft.

  18. On the origin of Gaussian network theory in the thermo/chemo-responsive shape memory effect of amorphous polymers undergoing photo-elastic transition

    NASA Astrophysics Data System (ADS)

    Lu, Haibao; Huang, Wei Min; Leng, Jinsong

    2016-06-01

    Amorphous polymers are normally isotropic in their physical properties, however, upon stress their structural randomness is disturbed and they become anisotropic. There is a close connection between the optical anisotropy and the elastic (or mechanical) anisotropy, since both are related to the type of symmetry exhibited by the molecular structure. On the origin of Gaussian network theory, a phenomenological constitutive framework was proposed to study the photo-elastic transition and working mechanism of the thermo-/chemo-responsive shape-memory effect (SME) in amorphous shape memory polymers (SMPs). Optically refractive index was initially employed to couple the stress, strain and the anisotropy of the random link in macromolecule chain. Based on the Arrhenius law, a constitutive framework was then applied for the temperature dependence of optical (or elastic or mechanical) anisotropy according to the fictive temperature parameter. Finally, the phenomenological photo-elastic model was proposed to quantitatively identify the influential factors behind the thermo-/chemo-responsive SME in SMPs, of which the shape recovery behavior is predicted and verified by the available experimental data reported in the literature.

  19. Lattice cluster theory of associating telechelic polymers. III. Order parameter and average degree of self-assembly, transition temperature, and specific heat

    NASA Astrophysics Data System (ADS)

    Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.

    2012-05-01

    The lattice cluster theory of strongly interacting, structured polymer fluids is applied to determine the thermodynamic properties of solutions of telechelic polymers that may associate through bifunctional end groups. Hence, this model represents a significant albeit natural extension of a diverse array of prior popular equilibrium polymerization models in which structureless "bead" monomers associate into chain-like clusters under equilibrium conditions. In particular, the thermodynamic description of the self-assembly of linear telechelic chains in small molecule solvents (initiated in Paper II) is systematically extended through calculations of the order parameter Φ and average degree ⟨N⟩ of self-assembly, the self-assembly transition temperature Tp, and the specific heat CV of solutions of telechelic molecules. Special focus is placed on examining how molecular and thermodynamic parameters, such as the solution composition ϕ, temperature T, microscopic interaction energies (ɛs and ɛ), and length M of individual telechelic chains, influence the computed thermodynamic quantities that are commonly used to characterize self-assembling systems.

  20. Reprint of: Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

    SciTech Connect

    Su, GM; Cordova, IA; Brady, MA; Prendergast, D; Wang, C

    2016-05-23

    © 2016. An improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to . in situ and . operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. We focus on how the combination of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.

  1. Reprint of: Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

    SciTech Connect

    Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; Prendergast, David; Wang, Cheng

    2016-11-01

    An improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here in this paper, we present relevant background on this emerging suite of techniques. We focus on how the combination of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.

  2. Reprint of: Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

    DOE PAGES

    Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; ...

    2016-11-01

    An improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here in this paper, we present relevant background on this emerging suite of techniques. We focus on how the combination ofmore » theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.« less

  3. Advancing manufacturing through computational chemistry

    SciTech Connect

    Noid, D.W.; Sumpter, B.G.; Tuzun, R.E.

    1995-12-31

    The capabilities of nanotechnology and computational chemistry are reaching a point of convergence. New computer hardware and novel computational methods have created opportunities to test proposed nanometer-scale devices, investigate molecular manufacturing and model and predict properties of new materials. Experimental methods are also beginning to provide new capabilities that make the possibility of manufacturing various devices with atomic precision tangible. In this paper, we will discuss some of the novel computational methods we have used in molecular dynamics simulations of polymer processes, neural network predictions of new materials, and simulations of proposed nano-bearings and fluid dynamics in nano- sized devices.

  4. Modular-based multiscale modeling on viscoelasticity of polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Li, Ying; Liu, Zeliang; Jia, Zheng; Liu, Wing Kam; Aldousari, Saad M.; Hedia, Hassan S.; Asiri, Saeed A.

    2016-10-01

    Polymer nanocomposites have been envisioned as advanced materials for improving the mechanical performance of neat polymers used in aerospace, petrochemical, environment and energy industries. With the filler size approaching the nanoscale, composite materials tend to demonstrate remarkable thermomechanical properties, even with addition of a small amount of fillers. These observations confront the classical composite theories and are usually attributed to the high surface-area-to-volume-ratio of the fillers, which can introduce strong nanoscale interfacial effect and relevant long-range perturbation on polymer chain dynamics. Despite decades of research aimed at understanding interfacial effect and improving the mechanical performance of composite materials, it is not currently possible to accurately predict the mechanical properties of polymer nanocomposites directly from their molecular constituents. To overcome this challenge, different theoretical, experimental and computational schemes will be used to uncover the key physical mechanisms at the relevant spatial and temporal scales for predicting and tuning constitutive behaviors in silico, thereby establishing a bottom-up virtual design principle to achieve unprecedented mechanical performance of nanocomposites. A modular-based multiscale modeling approach for viscoelasticity of polymer nanocomposites has been proposed and discussed in this study, including four modules: (A) neat polymer toolbox; (B) interphase toolbox; (C) microstructural toolbox and (D) homogenization toolbox. Integrating these modules together, macroscopic viscoelasticity of polymer nanocomposites could be directly predicted from their molecular constituents. This will maximize the computational ability to design novel polymer composites with advanced performance. More importantly, elucidating the viscoelasticity of polymer nanocomposites through fundamental studies is a critical step to generate an integrated computational material

  5. Modular-based multiscale modeling on viscoelasticity of polymer nanocomposites

    NASA Astrophysics Data System (ADS)

    Li, Ying; Liu, Zeliang; Jia, Zheng; Liu, Wing Kam; Aldousari, Saad M.; Hedia, Hassan S.; Asiri, Saeed A.

    2017-02-01

    Polymer nanocomposites have been envisioned as advanced materials for improving the mechanical performance of neat polymers used in aerospace, petrochemical, environment and energy industries. With the filler size approaching the nanoscale, composite materials tend to demonstrate remarkable thermomechanical properties, even with addition of a small amount of fillers. These observations confront the classical composite theories and are usually attributed to the high surface-area-to-volume-ratio of the fillers, which can introduce strong nanoscale interfacial effect and relevant long-range perturbation on polymer chain dynamics. Despite decades of research aimed at understanding interfacial effect and improving the mechanical performance of composite materials, it is not currently possible to accurately predict the mechanical properties of polymer nanocomposites directly from their molecular constituents. To overcome this challenge, different theoretical, experimental and computational schemes will be used to uncover the key physical mechanisms at the relevant spatial and temporal scales for predicting and tuning constitutive behaviors in silico, thereby establishing a bottom-up virtual design principle to achieve unprecedented mechanical performance of nanocomposites. A modular-based multiscale modeling approach for viscoelasticity of polymer nanocomposites has been proposed and discussed in this study, including four modules: (A) neat polymer toolbox; (B) interphase toolbox; (C) microstructural toolbox and (D) homogenization toolbox. Integrating these modules together, macroscopic viscoelasticity of polymer nanocomposites could be directly predicted from their molecular constituents. This will maximize the computational ability to design novel polymer composites with advanced performance. More importantly, elucidating the viscoelasticity of polymer nanocomposites through fundamental studies is a critical step to generate an integrated computational material

  6. Apparel Manufacture

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Marshall Space Flight Center teamed with the University of Alabama in Huntsville (UAH) in 1989 on a program involving development of advanced simulation software. Concurrently, the State of Alabama chartered UAH to conduct a technology advancement program in support of the state's apparel manufacturers. In 1992, under contract to Marshall, UAH developed an apparel-specific software package that allows manufacturers to design and analyze modules without making an actual investment -- it functions on ordinary PC equipment. By 1995, Marshall had responded to requests for the package from more than 400 companies in 36 states; some of which reported savings up to $2 million. The National Garment Company of Missouri, for example, uses the system to design and balance a modular line before committing to expensive hardware; for setting up sewing lines; and for determining the composition of a new team.

  7. Manufacturing technology

    SciTech Connect

    Leonard, J.A.; Floyd, H.L.; Goetsch, B.; Doran, L.

    1993-08-01

    This bulletin depicts current research on manufacturing technology at Sandia laboratories. An automated, adaptive process removes grit overspray from jet engine turbine blades. Advanced electronic ceramics are chemically prepared from solution for use in high- voltage varistors. Selective laser sintering automates wax casting pattern fabrication. Numerical modeling improves performance of photoresist stripper (simulation on Cray supercomputer reveals path to uniform plasma). And mathematical models help make dream of low- cost ceramic composites come true.

  8. Sustainable polymers from renewable resources

    NASA Astrophysics Data System (ADS)

    Zhu, Yunqing; Romain, Charles; Williams, Charlotte K.

    2016-12-01

    Renewable resources are used increasingly in the production of polymers. In particular, monomers such as carbon dioxide, terpenes, vegetable oils and carbohydrates can be used as feedstocks for the manufacture of a variety of sustainable materials and products, including elastomers, plastics, hydrogels, flexible electronics, resins, engineering polymers and composites. Efficient catalysis is required to produce monomers, to facilitate selective polymerizations and to enable recycling or upcycling of waste materials. There are opportunities to use such sustainable polymers in both high-value areas and in basic applications such as packaging. Life-cycle assessment can be used to quantify the environmental benefits of sustainable polymers.

  9. Sustainable polymers from renewable resources.

    PubMed

    Zhu, Yunqing; Romain, Charles; Williams, Charlotte K

    2016-12-14

    Renewable resources are used increasingly in the production of polymers. In particular, monomers such as carbon dioxide, terpenes, vegetable oils and carbohydrates can be used as feedstocks for the manufacture of a variety of sustainable materials and products, including elastomers, plastics, hydrogels, flexible electronics, resins, engineering polymers and composites. Efficient catalysis is required to produce monomers, to facilitate selective polymerizations and to enable recycling or upcycling of waste materials. There are opportunities to use such sustainable polymers in both high-value areas and in basic applications such as packaging. Life-cycle assessment can be used to quantify the environmental benefits of sustainable polymers.

  10. Green Manufacturing

    SciTech Connect

    Patten, John

    2013-12-31

    Green Manufacturing Initiative (GMI): The initiative provides a conduit between the university and industry to facilitate cooperative research programs of mutual interest to support green (sustainable) goals and efforts. In addition to the operational savings that greener practices can bring, emerging market demands and governmental regulations are making the move to sustainable manufacturing a necessity for success. The funding supports collaborative activities among universities such as the University of Michigan, Michigan State University and Purdue University and among 40 companies to enhance economic and workforce development and provide the potential of technology transfer. WMU participants in the GMI activities included 20 faculty, over 25 students and many staff from across the College of Engineering and Applied Sciences; the College of Arts and Sciences' departments of Chemistry, Physics, Biology and Geology; the College of Business; the Environmental Research Institute; and the Environmental Studies Program. Many outside organizations also contribute to the GMI's success, including Southwest Michigan First; The Right Place of Grand Rapids, MI; Michigan Department of Environmental Quality; the Michigan Department of Energy, Labor and Economic Growth; and the Michigan Manufacturers Technical Center.

  11. The mechanics of manufacturing processes

    SciTech Connect

    Wright, P.; Stori, J.; King, C.

    1996-10-01

    Economic pressures, particularly related to the quality of manufactured goods and `time-to-market` are forcing designers to think not only in terms of product design but also in terms of integrated product and process design, and finally in terms of deterministic manufacturing planning and control. As a result of these three high level needs, there is now an even greater need for comprehensive simulations that predict material behavior during a manufacturing process, the stresses and/or temperatures on associated tooling, and the final-product integrity. The phrase `manufacturing processes` of course covers a broad scope; it includes semiconductor manufacturing, injection molding of polymers, metal machining and precision lapping, wood and textile production, and the final assembly of piece-parts into a consumer product. It can be seen from this partial listing that the fields of fluid mechanics, solid mechanics, dynamics and tribology can all play a role. The introduction to the paper will contain a review of manufacturing processes and describe where simulations have been successfully applied, and where simulations are still lacking. The best of the simulations are those where the models accurately fit the physical phenomena, where accurate constitutive equations are available, and where boundary conditions are realistic. Thus, the body of the paper will focus on the results from one of these more successful simulations. It has been used to predict the deflections of tooling and the most appropriate operating conditions for the manufacturing process under study. A new method for manufacturing planning is described. In this method, closed form, somewhat simplified, analytical models are used to determine manufacturing planning parameters and then the results from these simpler models are refined by the fuller simulations. A case study in machining parameter selection for peripheral finish milling operations is developed.

  12. Polymer solar cells

    NASA Astrophysics Data System (ADS)

    Li, Gang; Zhu, Rui; Yang, Yang

    2012-03-01

    Recent progress in the development of polymer solar cells has improved power-conversion efficiencies from 3% to almost 9%. Based on semiconducting polymers, these solar cells are fabricated from solution-processing techniques and have unique prospects for achieving low-cost solar energy harvesting, owing to their material and manufacturing advantages. The potential applications of polymer solar cells are broad, ranging from flexible solar modules and semitransparent solar cells in windows, to building applications and even photon recycling in liquid-crystal displays. This Review covers the scientific origins and basic properties of polymer solar cell technology, material requirements and device operation mechanisms, while also providing a synopsis of major achievements in the field over the past few years. Potential future developments and the applications of this technology are also briefly discussed.

  13. Density Functional Theory of Simple Polymers in a Slit Pore: 2. The Role of Compressibility and Field Type

    SciTech Connect

    CURRO,JOHN G.; HOOPER,JUSTIN B.; MCCOY,JOHN D.; PILEGGI, MORGAN T.; WEINHOLD,JEFFREY D.

    1999-10-28

    Simple tangent, hard site chains near a hard wall are modeled with a Density Functional (DF) theory that uses the direct correlation function, c(r), as its ''input''. Two aspects of this DF theory are focused upon: (1) the consequences of variations in c(r)'s detailed form; and (2) the correct way to introduce c(r) into the DF formalism. The most important aspect of c(r) is found to be its integrated value, {cflx c}(0). Indeed, it appears that, for fixed {cflx c}(0), all reasonable guesses of the detailed shape of c(r) result in surprisingly similar density distributions, {rho}(r). Of course, the more accurate the c(r), the better the {rho}(r). As long as the length scale introduced by c(r) is roughly the hard site diameter and as long as the solution remains liquid-like, the {rho}(r) is found to be in good agreement with simulation results. The c(r) is used in DF theory to calculate the medium-induced-potential, U{sub M}(r) from the density distribution, {rho}(r). The form of U{sub M}(r) can be chosen to be one of a number of different forms. It is found that the forms for U{sub M}(r), which yield the most accurate results for the wall problem, are also those which were suggested as accurate in previous, related studies.

  14. Understanding Local and Macroscopic Electron Mobilities in the Fullerene Network of Conjugated Polymer-based Solar Cells. Time-Resolved Microwave Conductivity and Theory

    SciTech Connect

    Aguirre, Jordan C.; Arntsen, Christopher D.; Hernandez, Samuel; Huber, Rachel; Nardes, Alexandre M.; Halim, Merissa; Kilbride, Daniel; Rubin, Yves; Tolbert, Sarah H.; Kopidakis, Nikos; Schwartz, Benjamin J.; Neuhauser, Daniel

    2013-09-23

    The efficiency of bulk heterojunction (BHJ) organic photovoltaics is sensitive to the morphology of the fullerene network that transports electrons through the device. This sensitivity makes it difficult to distinguish the contrasting roles of local electron mobility (how easily electrons can transfer between neighboring fullerene molecules) and macroscopic electron mobility (how well-connected is the fullerene network on device length scales) in solar cell performance. In this work, a combination of density functional theory (DFT) calculations, flash-photolysis time-resolved microwave conductivity (TRMC) experiments, and space-charge-limit current (SCLC) mobility estimates are used to examine the roles of local and macroscopic electron mobility in conjugated polymer/fullerene BHJ photovoltaics. The local mobility of different pentaaryl fullerene derivatives (so-called ‘shuttlecock’ molecules) is similar, so that differences in solar cell efficiency and SCLC mobilities result directly from the different propensities of these molecules to self-assemble on macroscopic length scales. These experiments and calculations also demonstrate that the local mobility of phenyl-C60 butyl methyl ester (PCBM) is an order of magnitude higher than that of other fullerene derivatives, explaining why PCBM has been the acceptor of choice for conjugated polymer BHJ devices even though it does not form an optimal macroscopic network. The DFT calculations indicate that PCBM's superior local mobility comes from the near-spherical nature of its molecular orbitals, which allow strong electronic coupling between adjacent molecules. In combination, DFT and TRMC techniques provide a tool for screening new fullerene derivatives for good local mobility when designing new molecules that can improve on the macroscopic electron mobility offered by PCBM.

  15. Manufacturing technology

    SciTech Connect

    Blaedel, K L

    1998-01-01

    The mission of the Manufacturing Technology thrust area at Lawrence Livermore National Laboratory (LLNL) has been to have an adequate base of manufacturing technology, not necessarily resident at LLNL, to conduct their future business. The specific goals were (1) to develop an understanding of fundamental fabrication processes; (2) to construct general purpose process models that have wide applicability; (3) to document their findings and models in journals; (4) to transfer technology to LLNL programs, industry, and colleagues; and (5) to develop continuing relationships with the industrial and academic communities to advance their collective understanding of fabrication processes. In support of this mission, two projects were reported here, each of which explores a way to bring higher precision to the manufacturing challenges that we face over the next few years. The first, ''A Spatial-Frequency-Domain Approach to Designing a Precision Machine Tools,'' is an overall view of how they design machine tools and instruments to make or measure workpieces that are specified in terms of the spatial frequency content of the residual errors of the workpiece surface. This represents an improvement of an ''error budget,'' a design tool that saw significant development in the early 1980's, and has been in active use since then. The second project, ''Micro-Drilling of ICF Capsules,'' is an attempt to define the current state in commercial industry for drilling small holes, particularly laser-drilling. The report concludes that 1-{micro}m diameter holes cannot currently be drilled to high aspect ratios, and then defines the engineering challenges that will have to be overcome to machine holes small enough for NIF capsules.

  16. Manufacture of electrical and magnetic graded and anisotropic materials for novel manipulations of microwaves

    PubMed Central

    Grant, P. S.; Castles, F.; Lei, Q.; Wang, Y.; Janurudin, J. M.; Isakov, D.; Speller, S.; Dancer, C.; Grovenor, C. R. M.

    2015-01-01

    Spatial transformations (ST) provide a design framework to generate a required spatial distribution of electrical and magnetic properties of materials to effect manipulations of electromagnetic waves. To obtain the electromagnetic properties required by these designs, the most common materials approach has involved periodic arrays of metal-containing subwavelength elements. While aspects of ST theory have been confirmed using these structures, they are often disadvantaged by narrowband operation, high losses and difficulties in implementation. An all-dielectric approach involves weaker interactions with applied fields, but may offer more flexibility for practical implementation. This paper investigates manufacturing approaches to produce composite materials that may be conveniently arranged spatially, according to ST-based designs. A key aim is to highlight the limitations and possibilities of various manufacturing approaches, to constrain designs to those that may be achievable. The article focuses on polymer-based nano- and microcomposites in which interactions with microwaves are achieved by loading the polymers with high-permittivity and high-permeability particles, and manufacturing approaches based on spray deposition, extrusion, casting and additive manufacture. PMID:26217051

  17. Fabric Manufacturing

    NASA Technical Reports Server (NTRS)

    1986-01-01

    When rapid oscillation of blanket wearing looms at Chatham Manufacturing Company caused significant metal fatigue, the company turned to NC/STRC for a NASA data bank computer search. The search pinpointed tensile stress, and suggested a built-in residual compressive stress as a solution. "Shot peening," bombarding a part with a high velocity stream of very small shot to pound and compress the part's surface, was found to be the only practical method for creating compressive stress. The method has been successful and the company estimates its annual savings as a quarter million dollars.

  18. Manufacturing technology

    NASA Astrophysics Data System (ADS)

    Leonard, J. A.; Floyd, H. L.; Goetsch, B.; Doran, L.

    1993-08-01

    This bulletin depicts current research on manufacturing technology at Sandia laboratories. An automated, adaptive process removes grit overspray from jet engine turbine blades. Advanced electronic ceramics are chemically prepared from solution for use in high-voltage varistors. A selective laser sintering process automates wax casting pattern fabrication. Numerical modeling improves the performance of a photoresist stripper (a simulation on a Cray supercomputer reveals the path of a uniform plasma). Improved mathematical models will help make the dream of low-cost ceramic composites come true.

  19. Photo-origami—Bending and folding polymers with light

    NASA Astrophysics Data System (ADS)

    Ryu, Jennie; D'Amato, Matteo; Cui, Xiaodong; Long, Kevin N.; Jerry Qi, H.; Dunn, Martin L.

    2012-04-01

    Photo-origami uses the dynamic control of the molecular architecture of a polymer by a combination of mechanical and non-contact optical stimuli to design and program spatially and temporally variable mechanical and optical fields into a material. The fields are essentially actuators, embedded in the material at molecular resolution, designed to enable controllable, sequenced, macroscopic bending and folding to create three-dimensional material structures. Here, we demonstrate, through a combination of theory, simulation-based design, synthesis, and experiment, the operative phenomena and capabilities of photo-origami that highlight its potential as a powerful, and potentially manufacturable, approach to create three-dimensional material structures.

  20. Polymer infiltration studies

    NASA Technical Reports Server (NTRS)

    Marchello, Joseph M.

    1995-01-01

    Polymer infiltration investigations were directed toward development of methods by which to produce advanced composite material for automated part fabrication utilizing textile and robotic technology in the manufacture of subsonic and supersonic aircraft. Significant progress was made during the project on the preparation of carbon fiber composites using advanced polymer resins. The findings and results of the project are summarized in the attached paper entitled 'Powder-Coated Towpreg: Avenues to Near Net Shape Fabrication of High Performance Composite.' Also attached to this report is the second of two patent applications submitted as a result of these studies.

  1. Turbine Manufacture

    NASA Technical Reports Server (NTRS)

    1979-01-01

    The machinery pictured is a set of Turbodyne steam turbines which power a sugar mill at Bell Glade, Florida. A NASA-developed computer program called NASTRAN aided development of these and other turbines manufactured by Turbodyne Corporation's Steam Turbine Division, Wellsville, New York. An acronym for NASA Structural Analysis Program, NASTRAN is a predictive tool which advises development teams how a structural design will perform under service use conditions. Turbodyne uses NASTRAN to analyze the dynamic behavior of steam turbine components, achieving substantial savings in development costs. One of the most widely used spinoffs, NASTRAN is made available to private industry through NASA's Computer Software Management Information Center (COSMIC) at the University of Georgia.

  2. Polymer electronic devices and materials.

    SciTech Connect

    Schubert, William Kent; Baca, Paul Martin; Dirk, Shawn M.; Anderson, G. Ronald; Wheeler, David Roger

    2006-01-01

    Polymer electronic devices and materials have vast potential for future microsystems and could have many advantages over conventional inorganic semiconductor based systems, including ease of manufacturing, cost, weight, flexibility, and the ability to integrate a wide variety of functions on a single platform. Starting materials and substrates are relatively inexpensive and amenable to mass manufacturing methods. This project attempted to plant the seeds for a new core competency in polymer electronics at Sandia National Laboratories. As part of this effort a wide variety of polymer components and devices, ranging from simple resistors to infrared sensitive devices, were fabricated and characterized. Ink jet printing capabilities were established. In addition to promising results on prototype devices the project highlighted the directions where future investments must be made to establish a viable polymer electronics competency.

  3. Density functional theory investigation of opto-electronic properties of thieno[3,4-b]thiophene and benzodithiophene polymer and derivatives and their applications in solar cell

    NASA Astrophysics Data System (ADS)

    Khoshkholgh, Mehri Javan; Marsusi, Farah; Abolhassani, Mohammad Reza

    2015-02-01

    PTBs polymers with thieno[3,4-b]thiophene [TT] and benzodithiophene [BDT] units have particular properties, which demonstrate it as one of the best group of donor materials in organic solar cells. In the present work, density functional theory (DFT) is applied to investigate the optimized structure, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), band gap and dihedral angle of PTB7 at B3LYP/6-31G(d). Two different approaches are applied to carry out these investigations: Oligomer extrapolation technique and periodic boundary condition (PBC) method. The results obtained from PBC-DFT method are in fair agreement with experiments. Based on these reliable outcomes; the investigations continued to perform some derivatives of PTB7. In this study, sulfur is substituted by nitrogen, oxygen, silicon, phosphor or selenium atoms in pristine PTB7. Due to the shift of HOMO and LUMO levels, smaller band gaps are predicted to appear in some derivatives in comparison with PTB7. Maximum theoretical efficiencies, η, of the mentioned derivatives as well as local difference of dipole moments between the ground and excited states (Δμge) are computed. The results indicate that substitution of sulfur by nitrogen or oxygen in BDT unit, and silicon or phosphor in TT unit of pristine PTB7 leads to a higher η as well as Δμge.

  4. Density functional theory investigation of opto-electronic properties of thieno[3,4-b]thiophene and benzodithiophene polymer and derivatives and their applications in solar cell.

    PubMed

    Khoshkholgh, Mehri Javan; Marsusi, Farah; Abolhassani, Mohammad Reza

    2015-02-05

    PTBs polymers with thieno[3,4-b]thiophene [TT] and benzodithiophene [BDT] units have particular properties, which demonstrate it as one of the best group of donor materials in organic solar cells. In the present work, density functional theory (DFT) is applied to investigate the optimized structure, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), band gap and dihedral angle of PTB7 at B3LYP/6-31G(d). Two different approaches are applied to carry out these investigations: Oligomer extrapolation technique and periodic boundary condition (PBC) method. The results obtained from PBC-DFT method are in fair agreement with experiments. Based on these reliable outcomes; the investigations continued to perform some derivatives of PTB7. In this study, sulfur is substituted by nitrogen, oxygen, silicon, phosphor or selenium atoms in pristine PTB7. Due to the shift of HOMO and LUMO levels, smaller band gaps are predicted to appear in some derivatives in comparison with PTB7. Maximum theoretical efficiencies, η, of the mentioned derivatives as well as local difference of dipole moments between the ground and excited states (Δμge) are computed. The results indicate that substitution of sulfur by nitrogen or oxygen in BDT unit, and silicon or phosphor in TT unit of pristine PTB7 leads to a higher η as well as Δμge.

  5. Multiscale implications of stress-induced ionic polymer transducer sensing

    NASA Astrophysics Data System (ADS)

    Zangrilli, Ursula Therese

    Ionic Polymer Transducers (IPTs) can act as both actuators and sensors. As actuators, the energy density values are much better than PZT or PVDF materials. As sensors, IPTs are extraordinarily sensitive and have the potential to be used in any mode of deformation. However, application of IPT sensors is limited because of a lack of understanding of their fundamental physics. In this work, the main focus will be to explore and develop a better understanding of how IPTs function with respect to shear deformation. In turn, the results developed here will improve upon the state of understanding of IPT sensors in general and potentially expand meaningful application opportunities. Because IPT active response is a multiscale phenomenon, this study adopts a multiscale modeling framework. Of interest are the interplay among the polymeric backbone of the ionic polymer, the diluent present in the hydrophilic regions of the polymer and the interspersed electrode particulate. To begin, this work improves upon a past multiscale modeling framework for the polymer backbone based upon Rotational Isomeric State Theory such that the effects of material anisotropy may be considered. This is potentially significant in light of the polymer manufacturing process. These modeling results are then incorporated into a model of the diluent movement within the ionic transport regions of the IPT. The electrical current predictions are based upon streaming potential theories. Finally, this model incorporates viscoelastic behavior in order to develop a better understanding of the coupling of these two systems (the polymer and the diluent) and how this coupling influence affects the expected current output over time.

  6. Characterization of Tantalum Polymer Capacitors

    NASA Technical Reports Server (NTRS)

    Spence, Penelope

    2012-01-01

    Overview Reviewed data Caution must be taken when accelerating test conditions Data not useful to establish an acceleration model Introduction of new failure mechanism skewing results Evidence of Anti-Wear-Out De-doping of polymer Decreased capacitance Increased ESR Not dielectric breakdown Needs further investigation Further investigation into tantalum polymer capacitor technology Promising acceleration model for Manufacturer A Possibility for use in high-reliability space applications with suitable voltage derating.

  7. Characterization of Tantalum Polymer Capacitors

    NASA Technical Reports Server (NTRS)

    Spence, Penelope

    2012-01-01

    Overview Reviewed data Caution must be taken when accelerating test conditions Data not useful to establish an acceleration model Introduction of new failure mechanism skewing results Evidence of Anti-Wear-Out De-doping of polymer Decreased capacitance Increased ESR Not dielectric breakdown Needs further investigation Further investigation into tantalum polymer capacitor technology Promising acceleration model for Manufacturer A Possibility for use in high-reliability space applications with suitable voltage derating.

  8. Manufacturing: workers, technology, and management

    NASA Astrophysics Data System (ADS)

    Lumia, Ronald

    1995-11-01

    Manufacturing is a challenging activity. One must coordinate many activities to achieve success. There appears to be no magic formula which ensure quality. Simple prescriptions for all of manufacturing ills have been suggested, but the theory works better than the practice. This paper explores manufacturing from the standpoint of the interactions of workers, management, and the technology they use in their jobs. These three factors form a complex system, and to optimize the system is virtually impossible without a greater level of understanding. Technology is clearly one factor which makes a company excel, but it is not the only factor. Technology cannot be looked upon as the savior of manufacturing, but as one component of a complex system.

  9. Microgravity Polymers

    NASA Technical Reports Server (NTRS)

    1986-01-01

    A one-day, interactive workshop considering the effects of gravity on polymer materials science was held in Cleveland, Ohio, on May 9, 1985. Selected programmatic and technical issues were reviewed to introduce the field to workshop participants. Parallel discussions were conducted in three disciplinary working groups: polymer chemistry, polymer physics, and polymer engineering. This proceedings presents summaries of the workshop discussions and conclusions.

  10. Biodegradable Polymers

    PubMed Central

    Vroman, Isabelle; Tighzert, Lan

    2009-01-01

    Biodegradable materials are used in packaging, agriculture, medicine and other areas. In recent years there has been an increase in interest in biodegradable polymers. Two classes of biodegradable polymers can be distinguished: synthetic or natural polymers. There are polymers produced from feedstocks derived either from petroleum resources (non renewable resources) or from biological resources (renewable resources). In general natural polymers offer fewer advantages than synthetic polymers. The following review presents an overview of the different biodegradable polymers that are currently being used and their properties, as well as new developments in their synthesis and applications.

  11. Emerging Materials Technologies That Matter to Manufacturers

    NASA Technical Reports Server (NTRS)

    Misra, Ajay K.

    2015-01-01

    A brief overview of emerging materials technologies. Exploring the weight reduction benefit of replacing Carbon Fiber with Carbon Nanotube (CNT) in Polymer Composites. Review of the benign purification method developed for CNT sheets. The future of manufacturing will include the integration of computational material design and big data analytics, along with Nanomaterials as building blocks.

  12. Photoelectrochemical cells for conversion of solar energy to electricity and methods of their manufacture

    DOEpatents

    Skotheim, Terje

    1984-04-10

    A photoelectric device is disclosed which comprises first and second layers of semiconductive material, each of a different bandgap, with a layer of dry solid polymer electrolyte disposed between the two semiconductor layers. A layer of a polymer blend of a highly conductive polymer and a solid polymer electrolyte is further interposed between the dry solid polymer electrolyte and the first semiconductor layer. A method of manufacturing such devices is also disclosed.

  13. Permeability characterization of polymer matrix composites by RTM/VARTM

    NASA Astrophysics Data System (ADS)

    Naik, N. K.; Sirisha, M.; Inani, A.

    2014-02-01

    Cost effective manufacturing of high performance polymer matrix composite structures is an important consideration for the growth of its use. Resin transfer moulding (RTM) and vacuum assisted resin transfer moulding (VARTM) are the efficient processes for the cost effective manufacturing. These processes involve transfer of resin from the tank into the reinforcing preform loaded into a closed mould. Resin flow within the preform and reinforcement wetting can be characterized using the permeability properties. Different reinforcement and resin properties and process parameters affecting the permeability are discussed based on state of art literature review covering experimental studies. General theory for the determination of permeability is presented. Based on the literature review, permeability values for different reinforcement architecture, resin and processing conditions are presented. Further, possible sources of error during experimental determination of permeability and issues involved with reproducibility are discussed.

  14. Polymer infiltration studies

    NASA Technical Reports Server (NTRS)

    Marchello, Joseph M.

    1992-01-01

    Progress was made in several areas on the preparation of carbon fiber composites using advanced polymer resins. Polymer infiltration studies dealt with ways of preparing composite materials from advanced polymer resins and carbon fibers. This effort is comprised of an integrated approach to the process of composite part fabrication. The goal is to produce advanced composite materials for automated part fabrication using textile and robotics technology in the manufacture of subsonic and supersonic aircraft. The object is achieved through investigations at the NASA Langley Research Center and by stimulating technology transfer between contract researchers and the aircraft industry. Covered here are literature reviews, a status report on individual projects, current and planned research, publications, and scheduled technical presentations.

  15. Cloud manufacturing: a new manufacturing paradigm

    NASA Astrophysics Data System (ADS)

    Zhang, Lin; Luo, Yongliang; Tao, Fei; Li, Bo Hu; Ren, Lei; Zhang, Xuesong; Guo, Hua; Cheng, Ying; Hu, Anrui; Liu, Yongkui

    2014-03-01

    Combining with the emerged technologies such as cloud computing, the Internet of things, service-oriented technologies and high performance computing, a new manufacturing paradigm - cloud manufacturing (CMfg) - for solving the bottlenecks in the informatisation development and manufacturing applications is introduced. The concept of CMfg, including its architecture, typical characteristics and the key technologies for implementing a CMfg service platform, is discussed. Three core components for constructing a CMfg system, i.e. CMfg resources, manufacturing cloud service and manufacturing cloud are studied, and the constructing method for manufacturing cloud is investigated. Finally, a prototype of CMfg and the existing related works conducted by the authors' group on CMfg are briefly presented.

  16. Seal Apparatus and Methods to Manufacture Thereof

    NASA Technical Reports Server (NTRS)

    Richard, James A. (Inventor)

    2013-01-01

    In some implementations, apparatus and methods are provided through which a dynamic cryogenic seal is manufactured. In some implementations, the seal includes a retainer and a spring-seal assembly, the assembly being comprised of a main spring housing and fluorine-containing polymer seals. In some implementations, either a radial seal, or an axial (or "piston seal") is provided. In some implementations, methods of manufacturing the dynamic cryogenic seal are also provided. In some implementations, the methods include assembling the components while either heated or cooled, taking advantage of thermal expansion and contraction, such that there is a strong interference fit between the components at room temperature. In some implementations, this process ensures that the weaker fluorine-containing polymer seal is forced to expand and contract with the stronger retainer and spring and is under constant preload. In some implementations, the fluorine-containing polymer is therefore fluidized and retained, and can not lift off.

  17. 40 CFR 723.250 - Polymers.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Polymers. 723.250 Section 723.250... PREMANUFACTURE NOTIFICATION EXEMPTIONS Specific Exemptions § 723.250 Polymers. (a) Purpose and scope. (1) This...) of the Toxic Substances Control Act (15 U.S.C. 2604(a)(1)(A)) for the manufacture of certain...

  18. 40 CFR 723.250 - Polymers.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Polymers. 723.250 Section 723.250... PREMANUFACTURE NOTIFICATION EXEMPTIONS Specific Exemptions § 723.250 Polymers. (a) Purpose and scope. (1) This...) of the Toxic Substances Control Act (15 U.S.C. 2604(a)(1)(A)) for the manufacture of certain...

  19. Viscoelastic cationic polymers containing the urethane linkage

    NASA Technical Reports Server (NTRS)

    Rembaum, A. (Inventor)

    1972-01-01

    A method for the synthesis and manufacturing of elastomeric compositions and articles containing quaternary nitrogen centers and condensation residues along the polymeric backbone of the centers is presented. Linear and cross-linked straight chain and block polymers having a wide damping temperature range were synthesized. Formulae for the viscoelastic cationic polymers are presented.

  20. Charged polymers in high dimensions

    NASA Technical Reports Server (NTRS)

    Kantor, Yacov

    1990-01-01

    A Monte Carlo study of charged polymers with either homogeneously distributed frozen charges or with mobile charges has been performed in four and five space dimensions. The results are consistent with the renormalization-group predictions and contradict the predictions of Flory-type theory. Introduction of charge mobility does not modify the behavior of the polymers.

  1. Advanced Manufacturing Technologies

    NASA Technical Reports Server (NTRS)

    Fikes, John

    2016-01-01

    Advanced Manufacturing Technologies (AMT) is developing and maturing innovative and advanced manufacturing technologies that will enable more capable and lower-cost spacecraft, launch vehicles and infrastructure to enable exploration missions. The technologies will utilize cutting edge materials and emerging capabilities including metallic processes, additive manufacturing, composites, and digital manufacturing. The AMT project supports the National Manufacturing Initiative involving collaboration with other government agencies.

  2. Review of polymer MEMS micromachining

    NASA Astrophysics Data System (ADS)

    Kim, Brian J.; Meng, Ellis

    2016-01-01

    The development of polymer micromachining technologies that complement traditional silicon approaches has enabled the broadening of microelectromechanical systems (MEMS) applications. Polymeric materials feature a diverse set of properties not present in traditional microfabrication materials. The investigation and development of these materials have opened the door to alternative and potentially more cost effective manufacturing options to produce highly flexible structures and substrates with tailorable bulk and surface properties. As a broad review of the progress of polymers within MEMS, major and recent developments in polymer micromachining are presented here, including deposition, removal, and release techniques for three widely used MEMS polymer materials, namely SU-8, polyimide, and Parylene C. The application of these techniques to create devices having flexible substrates and novel polymer structural elements for biomedical MEMS (bioMEMS) is also reviewed.

  3. Desktop Manufacturing Technologies.

    ERIC Educational Resources Information Center

    Snyder, Mark

    1991-01-01

    Desktop manufacturing is the use of data from a computer-assisted design system to construct actual models of an object. Emerging processes are stereolithography, laser sintering, ballistic particle manufacturing, laminated object manufacturing, and photochemical machining. (SK)

  4. Desktop Manufacturing Technologies.

    ERIC Educational Resources Information Center

    Snyder, Mark

    1991-01-01

    Desktop manufacturing is the use of data from a computer-assisted design system to construct actual models of an object. Emerging processes are stereolithography, laser sintering, ballistic particle manufacturing, laminated object manufacturing, and photochemical machining. (SK)

  5. Free-energy analysis of water affinity in polymer studied by atomistic molecular simulation combined with the theory of solutions in the energy representation

    NASA Astrophysics Data System (ADS)

    Kawakami, Tomonori; Shigemoto, Isamu; Matubayasi, Nobuyuki

    2012-12-01

    Affinity of small molecule to polymer is an essential property for designing polymer materials with tuned permeability. In the present work, we develop a computational approach to the free energy ΔG of binding a small solute molecule into polymer using the atomistic molecular dynamics (MD) simulation combined with the method of energy representation. The binding free energy ΔG is obtained by viewing a single polymer as a collection of fragments and employing an approximate functional constructed from distribution functions of the interaction energy between solute and the fragment obtained from MD simulation. The binding of water is then examined against 9 typical polymers. The relationship is addressed between the fragment size and the calculated ΔG, and a useful fragment size is identified to compromise the performance of the free-energy functional and the sampling efficiency. It is found with the appropriate fragment size that the ΔG convergence at a statistical error of ˜0.2 kcal/mol is reached at ˜4 ns of replica-exchange MD of the water-polymer system and that the mean absolute deviation of the computational ΔG from the experimental is 0.5 kcal/mol. The connection is further discussed between the polymer structure and the thermodynamic ΔG.

  6. Polymer crowding and shape distributions in polymer-nanoparticle mixtures

    SciTech Connect

    Lim, Wei Kang; Denton, Alan R.

    2014-09-21

    Macromolecular crowding can influence polymer shapes, which is important for understanding the thermodynamic stability of polymer solutions and the structure and function of biopolymers (proteins, RNA, DNA) under confinement. We explore the influence of nanoparticle crowding on polymer shapes via Monte Carlo simulations and free-volume theory of a coarse-grained model of polymer-nanoparticle mixtures. Exploiting the geometry of random walks, we model polymer coils as effective penetrable ellipsoids, whose shapes fluctuate according to the probability distributions of the eigenvalues of the gyration tensor. Accounting for the entropic cost of a nanoparticle penetrating a larger polymer coil, we compute the crowding-induced shift in the shape distributions, radius of gyration, and asphericity of ideal polymers in a theta solvent. With increased nanoparticle crowding, we find that polymers become more compact (smaller, more spherical), in agreement with predictions of free-volume theory. Our approach can be easily extended to nonideal polymers in good solvents and used to model conformations of biopolymers in crowded environments.

  7. Piezoelectric Polymers

    NASA Technical Reports Server (NTRS)

    Harrison, J. S.; Ounaies, Z.; Bushnell, Dennis M. (Technical Monitor)

    2001-01-01

    The purpose of this review is to detail the current theoretical understanding of the origin of piezoelectric and ferroelectric phenomena in polymers; to present the state-of-the-art in piezoelectric polymers and emerging material systems that exhibit promising properties; and to discuss key characterization methods, fundamental modeling approaches, and applications of piezoelectric polymers. Piezoelectric polymers have been known to exist for more than forty years, but in recent years they have gained notoriety as a valuable class of smart materials.

  8. Two glass transitions in miscible polymer blends?

    SciTech Connect

    Dudowicz, Jacek; Freed, Karl F.; Douglas, Jack F.

    2014-06-28

    In contrast to mixtures of two small molecule fluids, miscible binary polymer blends often exhibit two structural relaxation times and two glass transition temperatures. Qualitative explanations postulate phenomenological models of local concentration enhancements due to chain connectivity in ideal, fully miscible systems. We develop a quantitative theory that explains qualitative trends in the dynamics of real miscible polymer blends which are never ideal mixtures. The theory is a synthesis of the lattice cluster theory of blend thermodynamics, the generalized entropy theory for glass-formation in polymer materials, and the Kirkwood-Buff theory for concentration fluctuations in binary mixtures.

  9. Crowding of polymer coils and demixing in nanoparticle-polymer mixtures.

    PubMed

    Lu, Ben; Denton, Alan R

    2011-07-20

    The Asakura-Oosawa-Vrij (AOV) model of colloid-polymer mixtures idealises nonadsorbing polymers as effective spheres that are fixed in size and impenetrable to hard particles. Real polymer coils, however, are intrinsically polydisperse in size (radius of gyration) and may be penetrated by smaller particles. Crowding by nanoparticles can affect the size distribution of polymer coils, thereby modifying effective depletion interactions and thermodynamic stability. To analyse the influence of crowding on polymer conformations and demixing phase behaviour, we adapt the AOV model to mixtures of nanoparticles and ideal, penetrable polymer coils that can vary in size. We perform Gibbs ensemble Monte Carlo simulations, including trial nanoparticle-polymer overlaps and variations in the radius of gyration. Results are compared with predictions of free-volume theory. Simulation and theory consistently predict that ideal polymers are compressed by nanoparticles, and that compressibility and penetrability stabilise nanoparticle-polymer mixtures.

  10. Development and study of the displaced foam dispersion methodology for the manufacture of multiscale/hybrid composites

    NASA Astrophysics Data System (ADS)

    McCrary-Dennis, Micah C. L.

    Incorporating nanostructured functional constituents within polymers has become extensive in processes and products for manufacturing composites. The conception of carbon nanotubes (CNTs) and their heralded attributes yielding property enhancements to the carrier system is leading many industries and research endeavors. Displaced Foam Dispersion (DFD) methodology is a novel and effective approach to facilitating the incorporation of CNTs within fiber reinforced polymer composites (FRPC). The methodology consists of six separate solubility phases that lead to the manufacture of CNT-FRPCs (also termed hybrid/multiscale composites). This study was primarily initiated to characterize the interaction parameters of nanomaterials (multiwall carbon nanotubes), polymers (polystyrene), and solvents (dimethyl formamide (DMF) and acetone) in the current paradigm of the DFD materials manufacture. Secondly, we sought to illustrate the theoretical potential for the methodology to be used in conjunction with other nanomaterial-polymer-solvent systems. Herein, the theory of Hansen's solubility parameters (HSP) is employed to explain the DFD constituents manufacturing combination parameters and aid in the explanation of the experimental results. The results illustrate quantitative values for the relative energy differences between each polymer-solvent system. Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) were used to characterize the multiwalled carbon nanotubes (MWCNTs) in each of the solubility stages and culminates with an indication of good dispersion potential in the final multiscale composite. Additionally, acetone absorption, evaporation mass loss and retention are reported for the sorbed plasticized PS-CNT (CNTaffy) nanocomposites that has successfully achieved up through approximately 60 weight percent loading. The findings indicate that as CNT loading percentage increases the acetone absorbency also increases, but the materials retention of

  11. Construction of drug-polymer thermodynamic phase diagrams using Flory-Huggins interaction theory: identifying the relevance of temperature and drug weight fraction to phase separation within solid dispersions.

    PubMed

    Tian, Yiwei; Booth, Jonathan; Meehan, Elizabeth; Jones, David S; Li, Shu; Andrews, Gavin P

    2013-01-07

    Amorphous drug-polymer solid dispersions have the potential to enhance the dissolution performance and thus bioavailability of BCS class II drug compounds. The principle drawback of this approach is the limited physical stability of amorphous drug within the dispersion. Accurate determination of the solubility and miscibility of drug in the polymer matrix is the key to the successful design and development of such systems. In this paper, we propose a novel method, based on Flory-Huggins theory, to predict and compare the solubility and miscibility of drug in polymeric systems. The systems chosen for this study are (1) hydroxypropyl methylcellulose acetate succinate HF grade (HPMCAS-HF)-felodipine (FD) and (2) Soluplus (a graft copolymer of polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol)-FD. Samples containing different drug compositions were mixed, ball milled, and then analyzed by differential scanning calorimetry (DSC). The value of the drug-polymer interaction parameter χ was calculated from the crystalline drug melting depression data and extrapolated to lower temperatures. The interaction parameter χ was also calculated at 25 °C for both systems using the van Krevelen solubility parameter method. The rank order of interaction parameters of the two systems obtained at this temperature was comparable. Diagrams of drug-polymer temperature-composition and free energy of mixing (ΔG(mix)) were constructed for both systems. The maximum crystalline drug solubility and amorphous drug miscibility may be predicted based on the phase diagrams. Hyper-DSC was used to assess the validity of constructed phase diagrams by annealing solid dispersions at specific drug loadings. Three different samples for each polymer were selected to represent different regions within the phase diagram.

  12. Polymer Exemption for New Chemicals under the Toxic Substances Control Act (TSCA)

    EPA Pesticide Factsheets

    EPA has established an exemption for certain polymers to encourage manufacturers to make safer polymers. To learn more about this exemption, eligibility, and it's requirements, read this overview of the exemption.

  13. Exploring Manufacturing Technology.

    ERIC Educational Resources Information Center

    Iley, John; And Others

    These teacher's materials for an eight-unit course were developed to help students develop technological literacy, career exploration, and problem-solving skills relative to the manufacturing industries. The eight units include an overview of manufacturing, manufacturing enterprises and systems, manufacturing materials and selection, manufacturing…

  14. Preparation of redox polymer cathodes for thin film rechargeable batteries

    DOEpatents

    Skotheim, Terje A.; Lee, Hung S.; Okamoto, Yoshiyuki

    1994-11-08

    The present invention relates to the manufacture of thin film solid state electrochemical devices using composite cathodes comprising a redox polymer capable of undergoing oxidation and reduction, a polymer solid electrolyte and conducting carbon. The polymeric cathode material is formed as a composite of radiation crosslinked polymer electrolytes and radiation crosslinked redox polymers based on polysiloxane backbones with attached organosulfur side groups capable of forming sulfur-sulfur bonds during electrochemical oxidation.

  15. Preparation of redox polymer cathodes for thin film rechargeable batteries

    DOEpatents

    Skotheim, T.A.; Lee, H.S.; Okamoto, Yoshiyuki.

    1994-11-08

    The present invention relates to the manufacture of thin film solid state electrochemical devices using composite cathodes comprising a redox polymer capable of undergoing oxidation and reduction, a polymer solid electrolyte and conducting carbon. The polymeric cathode material is formed as a composite of radiation crosslinked polymer electrolytes and radiation crosslinked redox polymers based on polysiloxane backbones with attached organosulfur side groups capable of forming sulfur-sulfur bonds during electrochemical oxidation.

  16. DARPA DICE Manufacturing Optimization

    DTIC Science & Technology

    1994-01-01

    product and process domains. The system will support Design for Manufacturing and Assembly ( DFMA ) with a set of tools to model manufacturing processes, and...concurrently in the product and process domains. The system will support DFMA with a set of tools to model manufacturing processes, and manage tradeoffs across... DFMA Design for Manufacturing and Assembly DICE DARPA Initiative In Concurrent Engineering MO Manufacturing Optimization 5 MSD Missile Systems Division

  17. Computer modeling of polymers

    NASA Technical Reports Server (NTRS)

    Green, Terry J.

    1988-01-01

    A Polymer Molecular Analysis Display System (p-MADS) was developed for computer modeling of polymers. This method of modeling allows for the theoretical calculation of molecular properties such as equilibrium geometries, conformational energies, heats of formations, crystal packing arrangements, and other properties. Furthermore, p-MADS has the following capabilities: constructing molecules from internal coordinates (bonds length, angles, and dihedral angles), Cartesian coordinates (such as X-ray structures), or from stick drawings; manipulating molecules using graphics and making hard copy representation of the molecules on a graphics printer; and performing geometry optimization calculations on molecules using the methods of molecular mechanics or molecular orbital theory.

  18. Homogeneous crystal nucleation in polymers.

    PubMed

    Schick, Christoph; Androsch, R; Schmelzer, Juern W P

    2017-07-14

    The pathway of crystal nucleation significantly influences the structure and properties of semi-crystalline polymers. Crystal nucleation is normally heterogeneous at low supercooling, and homogeneous at high supercooling, of the polymer melt. Homogeneous nucleation in bulk polymers has been, so far, hardly accessible experimentally, and was even doubted to occur at all. This topical review summarizes experimental findings on homogeneous crystal nucleation in polymers. Recently developed fast scanning calorimetry, with cooling and heating rates up to 106 K s-1, allows for detailed investigations of nucleation near and even below the glass transition temperature, including analysis of nuclei stability. As for other materials, the maximum homogeneous nucleation rate for polymers is located close to the glass transition temperature. In the experiments discussed here, it is shown that polymer nucleation is homogeneous at such temperatures. Homogeneous nucleation in polymers is discussed in the framework of classical nucleation theory. The majority of our observations are consistent with the theory. The discrepancies may guide further research, particularly experiments to progress theoretical development. Progress in the understanding of homogeneous nucleation is much needed, since most of the modelling approaches dealing with polymer crystallization exclusively consider homogeneous nucleation. This is also the basis for advancing theoretical approaches to the much more complex phenomena governing heterogeneous nucleation. © 2017 IOP Publishing Ltd.

  19. Self-lubricating polymer composites and polymer transfer film lubrication for space applications

    NASA Technical Reports Server (NTRS)

    Fusaro, Robert L.

    1990-01-01

    The use of self-lubricating polymers and polymer composites in space is somewhat limited today. In general, they are only used when other methods are inadequate. There is potential, however, for these materials to make a significant impact on future space missions if properly utilized. Some of the different polymers and fillers used to make self-lubricating composites are surveyed. The mechanisms of composite lubrication and wear, the theory behind transfer film lubricating mechanisms, and some factors which affect polymer composite wear and transfer are examined. In addition, some of the current space tribology application areas for self-lubricating polymer composites and polymer transfer are mentioned.

  20. Star Polymers.

    PubMed

    Ren, Jing M; McKenzie, Thomas G; Fu, Qiang; Wong, Edgar H H; Xu, Jiangtao; An, Zesheng; Shanmugam, Sivaprakash; Davis, Thomas P; Boyer, Cyrille; Qiao, Greg G

    2016-06-22

    Recent advances in controlled/living polymerization techniques and highly efficient coupling chemistries have enabled the facile synthesis of complex polymer architectures with controlled dimensions and functionality. As an example, star polymers consist of many linear polymers fused at a central point with a large number of chain end functionalities. Owing to this exclusive structure, star polymers exhibit some remarkable characteristics and properties unattainable by simple linear polymers. Hence, they constitute a unique class of technologically important nanomaterials that have been utilized or are currently under audition for many applications in life sciences and nanotechnologies. This article first provides a comprehensive summary of synthetic strategies towards star polymers, then reviews the latest developments in the synthesis and characterization methods of star macromolecules, and lastly outlines emerging applications and current commercial use of star-shaped polymers. The aim of this work is to promote star polymer research, generate new avenues of scientific investigation, and provide contemporary perspectives on chemical innovation that may expedite the commercialization of new star nanomaterials. We envision in the not-too-distant future star polymers will play an increasingly important role in materials science and nanotechnology in both academic and industrial settings.

  1. Polymer Electrolytes

    NASA Astrophysics Data System (ADS)

    Hallinan, Daniel T.; Balsara, Nitash P.

    2013-07-01

    This review article covers applications in which polymer electrolytes are used: lithium batteries, fuel cells, and water desalination. The ideas of electrochemical potential, salt activity, and ion transport are presented in the context of these applications. Potential is defined, and we show how a cell potential measurement can be used to ascertain salt activity. The transport parameters needed to fully specify a binary electrolyte (salt + solvent) are presented. We define five fundamentally different types of homogeneous electrolytes: type I (classical liquid electrolytes), type II (gel electrolytes), type III (dry polymer electrolytes), type IV (dry single-ion-conducting polymer electrolytes), and type V (solvated single-ion-conducting polymer electrolytes). Typical values of transport parameters are provided for all types of electrolytes. Comparison among the values provides insight into the transport mechanisms occurring in polymer electrolytes. It is desirable to decouple the mechanical properties of polymer electrolyte membranes from the ionic conductivity. One way to accomplish this is through the development of microphase-separated polymers, wherein one of the microphases conducts ions while the other enhances the mechanical rigidity of the heterogeneous polymer electrolyte. We cover all three types of conducting polymer electrolyte phases (types III, IV, and V). We present a simple framework that relates the transport parameters of heterogeneous electrolytes to homogeneous analogs. We conclude by discussing electrochemical stability of electrolytes and the effects of water contamination because of their relevance to applications such as lithium ion batteries.

  2. Polymer Chemistry

    NASA Technical Reports Server (NTRS)

    Williams, Martha; Roberson, Luke; Caraccio, Anne

    2010-01-01

    This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.

  3. Refractive Index Determination of Transparent Polymers: Experimental Setup for Multi-Wavelength Determination and Calculation at Specific Frequencies Using Group Contribution Theory

    ERIC Educational Resources Information Center

    Dlutowski, Jay; Cardenas-Valencia, Andres M.; Fries, David; Langebrake, Larry

    2006-01-01

    An experiment which enables students to determine the index of refraction at various wavelengths is demonstrated by using two polymers examples, poly(dimethyl siloxane) (PDMS) and poly(methyl methacrylate) (PMMA). This experiment would be suitable for a course in organic chemistry or any course discussing the optical properties of polymeric…

  4. Refractive Index Determination of Transparent Polymers: Experimental Setup for Multi-Wavelength Determination and Calculation at Specific Frequencies Using Group Contribution Theory

    ERIC Educational Resources Information Center

    Dlutowski, Jay; Cardenas-Valencia, Andres M.; Fries, David; Langebrake, Larry

    2006-01-01

    An experiment which enables students to determine the index of refraction at various wavelengths is demonstrated by using two polymers examples, poly(dimethyl siloxane) (PDMS) and poly(methyl methacrylate) (PMMA). This experiment would be suitable for a course in organic chemistry or any course discussing the optical properties of polymeric…

  5. Energy Use in Manufacturing

    EIA Publications

    2006-01-01

    This report addresses both manufacturing energy consumption and characteristics of the manufacturing economy related to energy consumption. In addition, special sections on fuel switching capacity and energy-management activities between 1998 and 2002 are also featured in this report.

  6. A force-level theory of the rheology of entangled rod and chain polymer liquids. I. Tube deformation, microscopic yielding, and the nonlinear elastic limit

    NASA Astrophysics Data System (ADS)

    Schweizer, Kenneth S.; Sussman, Daniel M.

    2016-12-01

    We employ a first-principles-based, force-level approach to construct the anharmonic tube confinement field for entangled fluids of rigid needles, and also for chains described at the primitive-path (PP) level in two limiting situations where chain stretch is assumed to either be completely equilibrated or unrelaxed. The influence of shear and extensional deformation and polymer orientation is determined in a nonlinear elastic limit where dissipative relaxation processes are intentionally neglected. For needles and PP-level chains, a self-consistent analysis of transverse polymer harmonic dynamical fluctuations predicts that deformation-induced orientation leads to tube weakening or widening. In contrast, for deformed polymers in which chain stretch does not relax, we find tube strengthening or compression. For all three systems, a finite maximum transverse entanglement force localizing the polymers in effective tubes is predicted. The conditions when this entanglement force can be overcome by an externally applied force associated with macroscopic deformation can be crisply defined in the nonlinear elastic limit, and the possibility of a "microscopic absolute yielding" event destroying the tube confinement can be analyzed. For needles and contour-relaxed PP chains, this force imbalance occurs at a stress of order the equilibrium shear modulus and a strain of order unity, corresponding to a mechanically fragile entanglement tube field. However, for unrelaxed stretched chains, tube compression stabilizes transverse polymer confinement, and there appears to be no force imbalance. These results collectively suggest that the crossover from elastic to irreversible viscous response requires chain retraction to initiate disentanglement. We qualitatively discuss comparisons with existing phenomenological models for nonlinear startup shear, step strain, and creep rheology experiments.

  7. DARPA DICE Manufacturing Optimization

    DTIC Science & Technology

    1993-01-01

    Manufacturing and Assembly ( DFMA ) with a set of tools to model the manufacturing processes, and manage tradeoffs across multiple processes. The subject of...in the product and process domains. The system will support DFMA with a set of tools to model the manufacturing processes, and manage tradeoffs across...concurrently in the product and process domains. The system will support Design for Manufacturing and Assembly ( DFMA ) with a set af tools to model the

  8. DARPA DICE Manufacturing Optimization

    DTIC Science & Technology

    1992-01-01

    Design for Manufacturing and Assembly ( DFMA ) with a set of tools to model the manufacturing processes, and manage tradeoffs across multiple processes. The...multiple manufacturing engineers, and the product/process changes are traded concurrently in the product and process domains. The system will support DFMA ...Contract Data Requirements List CM Communications Manager DARPA Defense Advanced Research Projects Agency DFMA Design for Manufacturing and Assembly

  9. Additive Manufacturing Infrared Inspection

    NASA Technical Reports Server (NTRS)

    Gaddy, Darrell; Nettles, Mindy

    2015-01-01

    The Additive Manufacturing Infrared Inspection Task started the development of a real-time dimensional inspection technique and digital quality record for the additive manufacturing process using infrared camera imaging and processing techniques. This project will benefit additive manufacturing by providing real-time inspection of internal geometry that is not currently possible and reduce the time and cost of additive manufactured parts with automated real-time dimensional inspections which deletes post-production inspections.

  10. Size-dependent mechanical behavior of nanoscale polymer particles through coarse-grained molecular dynamics simulation.

    PubMed

    Zhao, Junhua; Nagao, Shijo; Odegard, Gregory M; Zhang, Zhiliang; Kristiansen, Helge; He, Jianying

    2013-12-21

    Anisotropic conductive adhesives (ACAs) are promising materials used for producing ultra-thin liquid-crystal displays. Because the mechanical response of polymer particles can have a significant impact in the performance of ACAs, understanding of this apparent size effect is of fundamental importance in the electronics industry. The objective of this research is to use a coarse-grained molecular dynamics model to verify and gain physical insight into the observed size dependence effect in polymer particles. In agreement with experimental studies, the results of this study clearly indicate that there is a strong size effect in spherical polymer particles with diameters approaching the nanometer length scale. The results of the simulations also clearly indicate that the source for the increases in modulus is the increase in relative surface energy for decreasing particle sizes. Finally, the actual contact conditions at the surface of the polymer nanoparticles are shown to be similar to those predicted using Hertz and perfectly plastic contact theory. As ACA thicknesses are reduced in response to reductions in polymer particle size, it is expected that the overall compressive stiffness of the ACA will increase, thus influencing the manufacturing process.

  11. Size-dependent mechanical behavior of nanoscale polymer particles through coarse-grained molecular dynamics simulation

    PubMed Central

    2013-01-01

    Anisotropic conductive adhesives (ACAs) are promising materials used for producing ultra-thin liquid-crystal displays. Because the mechanical response of polymer particles can have a significant impact in the performance of ACAs, understanding of this apparent size effect is of fundamental importance in the electronics industry. The objective of this research is to use a coarse-grained molecular dynamics model to verify and gain physical insight into the observed size dependence effect in polymer particles. In agreement with experimental studies, the results of this study clearly indicate that there is a strong size effect in spherical polymer particles with diameters approaching the nanometer length scale. The results of the simulations also clearly indicate that the source for the increases in modulus is the increase in relative surface energy for decreasing particle sizes. Finally, the actual contact conditions at the surface of the polymer nanoparticles are shown to be similar to those predicted using Hertz and perfectly plastic contact theory. As ACA thicknesses are reduced in response to reductions in polymer particle size, it is expected that the overall compressive stiffness of the ACA will increase, thus influencing the manufacturing process. PMID:24359191

  12. Manufacturing control: A basis for analysis

    NASA Astrophysics Data System (ADS)

    Bugg, N.

    1989-11-01

    The application of elementary control theory to manufacturing systems demonstrating how the organization of basic shop-floor logistics can be optimized prior to the introduction of computer technology is explored. A control structure is introduced and applied to manufacturing systems, breaking the problem into its constituent parts in such a way that the advantages of improved control technology become more apparent and more readily implementable.

  13. IUPAC International Symposium on Polymers for Advanced Technologies, Jerusalem, Israel, Aug. 16-21, 1987, Proceedings

    SciTech Connect

    Lewin, M.

    1988-01-01

    The present conference discusses topics in radiation-sensitive, radiation-modified, and cured polymers, polymers of photoconductive, electroconductive, and piezoelectric type, polymers for advanced structures, liquid-crystal polymers, high-performance polymers compounded from flexible macromolecules, polymer networks, polymer blends, and the matching of composites with adhesives. Attention is given to the industrial radiation-curing of polymers, a frequency-analysis of ferroelectricity, liquid crystal polyester fibers, photochromic and thermochromic liquid crystals, diacetylene-based single-crystal fibers, interpenetrating polymer networks, chain-length development in complex epoxy-amine matrices, and a statistical-thermodynamic theory of polymer precipitation fractionation.

  14. Polymers & People

    ERIC Educational Resources Information Center

    Lentz, Linda; Robinson, Thomas; Martin, Elizabeth; Miller, Mary; Ashburn, Norma

    2004-01-01

    Each Tuesday during the fall of 2002, teams of high school students from three South Carolina counties conducted a four-hour polymer institute for their peers. In less than two months, over 300 students visited the Charleston County Public Library in Charleston, South Carolina, to explore DNA, nylon, rubber, gluep, and other polymers. Teams of…

  15. Polymers & People

    ERIC Educational Resources Information Center

    Lentz, Linda; Robinson, Thomas; Martin, Elizabeth; Miller, Mary; Ashburn, Norma

    2004-01-01

    Each Tuesday during the fall of 2002, teams of high school students from three South Carolina counties conducted a four-hour polymer institute for their peers. In less than two months, over 300 students visited the Charleston County Public Library in Charleston, South Carolina, to explore DNA, nylon, rubber, gluep, and other polymers. Teams of…

  16. Workforce Development for Manufacturing

    ERIC Educational Resources Information Center

    Bernard, Rosalie

    2007-01-01

    In a recent skills gap report, the National Association of Manufacturers (NAM) noted some disturbing trends in the gap between the demand for highly skilled manufacturing workers and the potential supply. The NAM report notes that smaller manufacturers rank finding qualified workers ahead of energy costs, taxes and government regulations on the…

  17. Designing using manufacturing features

    NASA Astrophysics Data System (ADS)

    Szecsi, T.; Hoque, A. S. M.

    2012-04-01

    This paper presents a design system that enables the composition of a part using manufacturing features. Features are selected from feature libraries. Upon insertion, the system ensures that the feature does not contradict the design-for-manufacture rules. This helps eliminating costly manufacturing problems. The system is developed as an extension to a commercial CAD/CAM system Pro/Engineer.

  18. Workforce Development for Manufacturing

    ERIC Educational Resources Information Center

    Bernard, Rosalie

    2007-01-01

    In a recent skills gap report, the National Association of Manufacturers (NAM) noted some disturbing trends in the gap between the demand for highly skilled manufacturing workers and the potential supply. The NAM report notes that smaller manufacturers rank finding qualified workers ahead of energy costs, taxes and government regulations on the…

  19. Neutron Characterization for Additive Manufacturing

    NASA Technical Reports Server (NTRS)

    Watkins, Thomas; Bilheux, Hassina; An, Ke; Payzant, Andrew; DeHoff, Ryan; Duty, Chad; Peter, William; Blue, Craig; Brice, Craig A.

    2013-01-01

    Manufacturing Demonstration Facility (MDF) sponsored by the DOE's Advanced Manufacturing Office. The MDF is focusing on R&D of both metal and polymer AM pertaining to in-situ process monitoring and closed-loop controls; implementation of advanced materials in AM technologies; and demonstration, characterization, and optimization of next-generation technologies. ORNL is working directly with industry partners to leverage world-leading facilities in fields such as high performance computing, advanced materials characterization, and neutron sciences to solve fundamental challenges in advanced manufacturing. Specifically, MDF is leveraging two of the world's most advanced neutron facilities, the HFIR and SNS, to characterize additive manufactured components.

  20. CNT reinforced epoxy foamed and electrospun nano-fiber interlayer systems for manufacturing lighter and stronger featherweight(TM) composites

    NASA Astrophysics Data System (ADS)

    Drakonakis, Vasileios M.

    Multiple works have been performed in improving carbon fiber reinforced polymer (CFRP) composites especially in terms of strength so delamination, which is the major defect in laminated composites, is prevented. Nevertheless, there is not much focus on improving conventional CFRP systems in terms of weight especially when these are used in primary structures. This work questions whether lighter and at the same time stronger CFRP composites can be manufactured in order to replace conventional CFRP systems in major applications. Under this perspective, this study demonstrates that inducing controlled porosity may offer a systemic approach for manufacturing light weight carbon fiber reinforced polymer (CFRP) matrix composites. Additionally, towards this scope, this work has focused on analyzing and describing the related matrix systems utilizing mostly classic viscoelastic theory. An in-depth characterization of the thermosetting matrix systems viscoelasticity kinetics as well as of the impregnation process towards its improvement in terms of lower cost is explored. Overall, this work makes an effort to establish the fundamentals for creating the next generation of light weight structural composites, the featherweight composites, by introducing porosity through several controlled reinforcements in a systemic and reproducible manner at the macro- micro- and nano- scales in the interlayer. By extensively describing the matrix system and the manufacturing processes and focusing on analytically testing the interlayer reinforcement systems, it is expected that featherweight CFRP will achieve lighter weight and at the same time higher mechanical properties.

  1. Slow rupture of polymer films

    NASA Astrophysics Data System (ADS)

    Kliakhandler, Igor

    2004-11-01

    Bursting of soap film is a fast and fascinating process. It turns out that certain polymer films rupture in a somewhat similar fashion, but much slower. The slowness of the process allows one to study the rupture of polymer films with details. The rupture process in Hele-Shaw-like fashion shows remarkable properties, and is a very simple system. It turns out that propagation speed of the rupture is a function of the film thickness, and rheologic properties of the polymer. Experimental results will be compared with theory, together with demonstration of the experiment.

  2. Additive manufacturing with polypropylene microfibers.

    PubMed

    Haigh, Jodie N; Dargaville, Tim R; Dalton, Paul D

    2017-08-01

    The additive manufacturing of small diameter polypropylene microfibers is described, achieved using a technique termed melt electrospinning writing. Sequential fiber layering, which is important for accurate three-dimensional fabrication, was achieved with the smallest fiber diameter of 16.4±0.2μm obtained. The collector speed, temperature and melt flow rate to the nozzle were optimized for quality and minimal fiber pulsing. Of particular importance to the success of this method is appropriate heating of the collector plate, so that the electrostatically drawn filament adheres during the direct-writing process. By demonstrating the direct-writing of polypropylene, new applications exploiting the favorable mechanical, stability and biocompatible properties of this polymer are envisaged. Copyright © 2017. Published by Elsevier B.V.

  3. Generative design drives manufacturing

    NASA Astrophysics Data System (ADS)

    Logan, Frank A.

    1989-04-01

    This paper reviews the collaboration that is being forced on Engineering and Manufacturing as they move from the manual translation of Engineering drawings toward automatic decoding of Product Data Definitions (PDDs), a pre-requisite to integrated manufacture. Based on case studies and implementation experience gained over the last decade, it defines the step-by-step evolution of a generative design capability that will drive manufacturing logic. It reviews the changing relationship of Engineering to Manufacturing and Industrial Engineering and the challenge this presents to manufacturing management in its struggle to remain competitive in both domestic and international markets.

  4. Manufacturing Planning Guide

    NASA Technical Reports Server (NTRS)

    Waid, Michael

    2011-01-01

    Manufacturing process, milestones and inputs are unknowns to first-time users of the manufacturing facilities. The Manufacturing Planning Guide aids in establishing expectations for both NASA and non-NASA facility customers. The potential audience for this guide includes both internal and commercial spaceflight hardware/software developers. It is intended to assist their project engineering personnel in manufacturing planning and execution. Material covered includes a roadmap of the manufacturing process, roles and responsibilities of facility and user, major milestones, facility capabilities, and inputs required by the facility. Samples of deliverables, products, and inputs necessary to define test scope, cost, and schedule are included as an appendix to the guide.

  5. Hydrophilization and hydrophobic recovery in polymers obtained by casting of polymer solutions on water surface.

    PubMed

    Bormashenko, Edward; Chaniel, Gilad; Gendelman, Oleg

    2014-12-01

    We demonstrate the possibility of hydrophilization of polymer films in situ under the process of their preparation. The polymer surface is hydrophilized when the polymer solution is spread on the water surface and the solvent is evaporated. Essential hydrophilization of the polymer surface is achieved under this process. We relate the observed hydrophilization of polymer films to the dipole-dipole interaction of the polar moieties of polymer chains with highly polar water molecules. The dipole-dipole interaction between water molecules and polar groups of polymer chains, orienting the polar groups of a polymer, may prevail over the London dispersion forces. The process, reported in the paper, allows to manufacture the films in which the hydrophilic moieties of the polymer molecule are oriented toward the polymer/air interface. It is demonstrated that even such traditionally extremely hydrophobic polymers as polydimethylsiloxane can be markedly hydrophilized. This hydrophilization, however, does not persist forever. After removal from the water surface, hydrophobic recovery was observed, i.e. polymer films restored their hydrophobicity with time. The characteristic time of the hydrophobic recovery is on the order of magnitude of hours.

  6. Atomic and close-to-atomic scale manufacturing—A trend in manufacturing development

    NASA Astrophysics Data System (ADS)

    Fang, Fengzhou

    2016-12-01

    Manufacturing is the foundation of a nation's economy. It is the primary industry to promote economic and social development. To accelerate and upgrade China's manufacturing sector from "precision manufacturing" to "high-performance and high-quality manufacturing", a new breakthrough should be found in terms of achieving a "leap-frog development". Unlike conventional manufacturing, the fundamental theory of "Manufacturing 3.0" is beyond the scope of conventional theory; rather, it is based on new principles and theories at the atomic and/or closeto- atomic scale. Obtaining a dominant role at the international level is a strategic move for China's progress.

  7. Inkjet printing of electroactive polymer actuators on polymer substrates

    NASA Astrophysics Data System (ADS)

    Pabst, O.; Perelaer, J.; Beckert, E.; Schubert, U. S.; Eberhardt, R.; Tünnermann, A.

    2011-04-01

    Electroactive polymers (EAP) are promising materials for actuators in different application areas. This paper reports inkjet printing as a versatile tool for manufacturing EAP actuators. Drop-on-demand inkjet printing can be used for additive deposition of functional materials onto substrates. Cantilever bending actuators with lateral dimensions in the mm range are described here. A commercially available solution of electroactive polymers is dispensed onto metalized polycarbonate substrates using inkjet printing. These polymers exhibit piezoelectric behavior. Multiple layers are printed resulting in a film thickness of 5 to 10 μm. After printing, the polymer layers are annealed thermally at 130 °C. Top electrodes are deposited onto the EAP layer by inkjet printing a silver nanoparticle ink. The as-printed silver layers are sintered using an argon plasma - a recently developed sintering technique that is compatible with low TG polymer foils. After printing the EAP layers are poled. When applying an electric field across the polymer layer, piezoelectric strain in the EAP leads to a bending deflection of the structures. With driving voltages of 200 V the actuators generate displacements of 20 μm and blocking forces of approximately 3 mN. The first resonance frequency occurs at 230 Hz.

  8. Replication fidelity assessment of large area sub-μm structured polymer surfaces using scatterometry

    NASA Astrophysics Data System (ADS)

    Calaon, M.; Madsen, M. H.; Weirich, J.; Hansen, H. N.; Tosello, G.; Hansen, P. E.; Garnaes, J.; Tang, P. T.

    2015-12-01

    The present study addresses one of the key challenges in the product quality control of transparent structured polymer substrates, the replication fidelity of sub-μm structures over a large area. Additionally the work contributes to the development of new techniques focused on in-line characterization of large nanostructured surfaces using scatterometry. In particular an approach to quantify the replication fidelity of high volume manufacturing processes such as polymer injection moulding is presented. Both periodic channels and semi-spherical structures were fabricated on nickel shims used for later injection moulding of Cyclic-olefin-copolymer (COC) substrate were the sub-μm features where ultimately transferred. The scatterometry system was validated using calibrated atomic force microscopy measurements and a model based on scalar diffraction theory employed to calculate the expected angular distribution of the reflected and the transmitted intensity for the nickel surfaces and structured COC and, respectively.

  9. PREFACE: Polymers and Complex Matter

    NASA Astrophysics Data System (ADS)

    von Ferber, Christian

    2005-05-01

    This special issue, in honour of Lothar Schäfer on the occasion of his 60th birthday, focuses on polymers and complex matter and covers a broad range of topics both in terms of subject matter and methods applied. This reflects the wide and open minded interests of the honoree. Lothar Schäfer began his career in Heidelberg working on theoretical nuclear physics with H A Weidenmüller. Following a stay at the CEN Saclay in 1974, he turned to the field of critical phenomena. He made fundamental contributions to the subject of disordered systems, in particular on Goldstone modes with F J Wegner and on Anderson localization with A U Pruisken. With T A Witten he formulated a truly field theoretic description of general polymer solutions. Polymers in solution and the renormalization group approach to their experimentally accessible properties have, since 1980 in Hannover and 1983 in Essen, been his primary field of research summarized in his book Excluded Volume Effects in Polymer Solutions as Explained by the Renormalization Group covering `all you ought to know' on the subject. This work is complemented by analytical studies of polymer dynamics. The subjects contained in this special issue encompass soft matter and its rheology, polymers in confinement and their role in short- and long-range colloidal interactions: discussing lenses, dumbbells, rods and dendrimers. Special topics are short chains, directed molecules and gas permeation through polymers. Applications of polymer theory to biological systems include the interactions between DNA molecules and between DNA and proteins and the polymerization of the actin skeleton. Work on random matrix theory, functional renormalization and ageing is devoted to the implications of disorder. Finally, more general aspects of the field theory of polymers and complex matter are discussed, like the Hubbard-Stratonovich transformation, renormalization of polymer field theory, exact renormalization group equations, percolation and

  10. Variable stiffness property study on shape memory polymer composite tube

    NASA Astrophysics Data System (ADS)

    Chen, Yijin; Sun, Jian; Liu, Yanju; Leng, Jinsong

    2012-09-01

    As a typical smart material, shape memory polymers (SMPs) have the capability of variable stiffness in response to external stimuli, such as heat, electricity, magnetism and solvents. In this research, a shape memory polymer composite (SMPC) tube composed of multi-layered filament wound structures is investigated. The SMPC tube possesses considerable flexibility under high temperature and rigidity under low temperature. Significant changes in effective engineering modulus can be achieved through regulating the environment temperature. Based on the classical laminated-plate theory and Sun’s thick laminate analysis, a 3D theory method is used to study the effective engineering modulus and modulus ratio of the SMPC tube. The tensile test is conducted on the SMPC tube to verify the accuracy of the theoretical method. In addition, the effective engineering modulus and modulus ratio are discussed under different fiber-winding angles and fiber volume fractions of the SMPC tube. The presented analysis provides meaningful guidance to assist the design and manufacture of SMPC tubes in morphing skin applications.

  11. Polymer flooding

    SciTech Connect

    Littmann, W.

    1988-01-01

    This book covers all aspects of polymer flooding, an enhanced oil recovery method using water soluble polymers to increase the viscosity of flood water, for the displacement of crude oil from porous reservoir rocks. Although this method is becoming increasingly important, there is very little literature available for the engineer wishing to embark on such a project. In the past, polymer flooding was mainly the subject of research. The results of this research are spread over a vast number of single publications, making it difficult for someone who has not kept up-to-date with developments during the last 10-15 years to judge the suitability of polymer flooding to a particular field case. This book tries to fill that gap. An indispensable book for reservoir engineers, production engineers and lab. technicians within the petroleum industry.

  12. Semiconducting polymers

    NASA Astrophysics Data System (ADS)

    Hermann, A. M.

    A review is presented of the electrical properties of those polymers whose conductivities occupy the middle ground between polymeric insulators and polymeric superconductors. Attention is confined to polymers in which conduction occurs through electronic, rather than ionic, transport. Four classes of semiconductors are discussed: (1) highly-conjugated polymers, including those formed by pyrolysis; (2) polymeric charge-transfer complexes and radical-ion salts; (3) organometallic polymeric semiconductors; and (4) composite polymer systems containing carbon or other highly conducting media. The possible applications discussed include cathodes in solid-state metal/halogen primary batteries, cathodes in lithium/poly-p-phenylene or polyacetylene secondary batteries, conductive coatings and epoxies, and chemical sensing agents. Other applications are Peltier cooling devices, pressure transducers, photovoltaic devices, infrared radiation detectors, and switches and resistors.

  13. Organometallic Polymers.

    ERIC Educational Resources Information Center

    Carraher, Charles E., Jr.

    1981-01-01

    Reactions utilized to incorporate a metal-containing moiety into a polymer chain (addition, condensation, and coordination) are considered, emphasizing that these reactions also apply to smaller molecules. (JN)

  14. Phase behavior of ternary polymer brushes

    DOE PAGES

    Simocko, Chester K.; Frischknecht, Amalie L.; Huber, Dale L.

    2016-01-07

    Ternary polymer brushes consisting of polystyrene, poly(methyl methacrylate), and poly(4-vinylpyridine) have been synthesized. These brushes laterally phase separate into several distinct phases and can be tailored by altering the relative polymer composition. Self-consistent field theory has been used to predict the phase diagram and model both the horizontal and vertical phase behavior of the polymer brushes. As a result, all phase behaviors observed experimentally correlate well with the theoretical model.

  15. Polymers All Around You!

    ERIC Educational Resources Information Center

    Gertz, Susan

    Background information on natural polymers, synthetic polymers, and the properties of polymers is presented as an introduction to this curriculum guide. Details are provided on the use of polymer products in consumer goods, polymer recycling, polymer densities, the making of a polymer such as GLUEP, polyvinyl alcohol, dissolving plastics, polymers…

  16. Polymers All Around You!

    ERIC Educational Resources Information Center

    Gertz, Susan

    Background information on natural polymers, synthetic polymers, and the properties of polymers is presented as an introduction to this curriculum guide. Details are provided on the use of polymer products in consumer goods, polymer recycling, polymer densities, the making of a polymer such as GLUEP, polyvinyl alcohol, dissolving plastics, polymers…

  17. Depletion-induced forces and crowding in polymer-nanoparticle mixtures: Role of polymer shape fluctuations and penetrability

    NASA Astrophysics Data System (ADS)

    Lim, Wei Kang; Denton, Alan R.

    2016-01-01

    Depletion forces and macromolecular crowding govern the structure and function of biopolymers in biological cells and the properties of polymer nanocomposite materials. To isolate and analyze the influence of polymer shape fluctuations and penetrability on depletion-induced interactions and crowding by nanoparticles, we model polymers as effective penetrable ellipsoids, whose shapes fluctuate according to the probability distributions of the eigenvalues of the gyration tensor of an ideal random walk. Within this model, we apply Monte Carlo simulation methods to compute the depletion-induced potential of mean force between hard nanospheres and crowding-induced shape distributions of polymers in the protein limit, in which polymer coils can be easily penetrated by smaller nanospheres. By comparing depletion potentials from simulations of ellipsoidal and spherical polymer models with predictions of polymer field theory and free-volume theory, we show that polymer depletion-induced interactions and crowding depend sensitively on polymer shapes and penetrability, with important implications for bulk thermodynamic phase behavior.

  18. Depletion-induced forces and crowding in polymer-nanoparticle mixtures: Role of polymer shape fluctuations and penetrability.

    PubMed

    Lim, Wei Kang; Denton, Alan R

    2016-01-14

    Depletion forces and macromolecular crowding govern the structure and function of biopolymers in biological cells and the properties of polymer nanocomposite materials. To isolate and analyze the influence of polymer shape fluctuations and penetrability on depletion-induced interactions and crowding by nanoparticles, we model polymers as effective penetrable ellipsoids, whose shapes fluctuate according to the probability distributions of the eigenvalues of the gyration tensor of an ideal random walk. Within this model, we apply Monte Carlo simulation methods to compute the depletion-induced potential of mean force between hard nanospheres and crowding-induced shape distributions of polymers in the protein limit, in which polymer coils can be easily penetrated by smaller nanospheres. By comparing depletion potentials from simulations of ellipsoidal and spherical polymer models with predictions of polymer field theory and free-volume theory, we show that polymer depletion-induced interactions and crowding depend sensitively on polymer shapes and penetrability, with important implications for bulk thermodynamic phase behavior.

  19. Ablation of polymers and composites when exposed to CO2 laser radiation (review)

    NASA Astrophysics Data System (ADS)

    Said-Galiev, É. E.; Nikitin, L. N.

    1992-03-01

    As can be seen from the data presented in this review, ablation of polymers has been studied extensively and is being used commercially as manufacturing operation. The convenience of laser technology, and in some cases its irreplacability, are not doubted in the slightest by specialists in this area. The use of CO2 lasers for dimensional working of composites based on phenyl-formaldehyde resin and various fillers is a matter of extreme interest at the present time [75]. The search for new types of polymeric binders and their application in industry make it necessary for research workers to investigate features of their behavior in a laser beam. If we consider specific manufacturing operations in which it is particularly convenient to use lasers, we may note the cutting of sheet materials [4, 69, 76], scribing, piercing holes with fine or ultrafine diameter, processing fibers, etc. [4, 76, 77], By using lasers, it is possible to avoid such undesirable effects as cracking and scaling of particularly brittle thermosetting polymers [69]. In predicting the behavior of new types of polymers in a laser beam, it is first necessary to establish their classification group (A, B, or C), their flammability, their tendency to form secondary polymeric structures, etc. The mechanism of ablation of various groups has certain features that need detailed study and refinement. At present, description of the ablation process in polymers is largely borrowed from the theory of vaporization of metals when exposed to laser radiation. The development of a specific theory of ablation of polymeric materials is a matter for the immediate future.

  20. U.S. EPA requires Fairfield, Calif. resin manufacturer to protect waterways from oil spills

    EPA Pesticide Factsheets

    SAN FRANCISCO - Today, the U.S. Environmental Protection Agency reached a settlement with Sunpol Resins & Polymers, Inc., to resolve federal Clean Water Act violations at its manufacturing facility in Fairfield, California. Sunpol will pay a $41,600 p

  1. Polymer induced depletion potentials in polymer-colloid mixtures

    NASA Astrophysics Data System (ADS)

    Louis, A. A.; Bolhuis, P. G.; Meijer, E. J.; Hansen, J. P.

    2002-07-01

    The depletion interactions between two colloidal plates or between two colloidal spheres, induced by interacting polymers in a good solvent, are calculated theoretically and by computer simulations. A simple analytical theory is shown to be quantitatively accurate for the case of two plates. A related depletion potential is derived for two spheres; it also agrees very well with direct computer simulations. Theories based on ideal polymers show important deviations with increasing polymer concentration: They overestimate the range of the depletion potential between two plates or two spheres at all densities, with the largest relative change occurring in the dilute regime. They underestimate the well depth at contact for the case of two plates, but overestimate it for two spheres. Depletion potentials are also calculated using a coarse graining approach which represents the polymers as "soft colloids;" good agreement is found in the dilute regime. Finally, the effect of the polymers on colloid-colloid osmotic virial coefficients is related to phase behavior of polymer-colloid mixtures.

  2. Manufacturing Information System.

    DTIC Science & Technology

    1983-12-22

    university classroom to aid in education and training of new manufacturing engineers. It is the purpose for this research to continue the development...PAUL R. SMITH 175 South 600 East #1 Provo, Utah 84601 (801) 377-8068 CAREER OBJECTIVE: Manufacturing Engineer using skills in development and...university classroom to aid in the education and train- ing of new manufacturing engineers. , . o i . o ., . . . . . - ,’ o . -2- 1.2. NEED There is a current

  3. DARPA DICE Manufacturing Optimization

    DTIC Science & Technology

    1993-01-01

    Assembly ( DFMA ) with a set of tools to model manufacturing processes, and manage tradeoffs across multiple processes. The subject of this report is the...manufacturing engineers, and product/process changes are traded concurrently in the product and process domains. The system will support DFMA with a...Requirements List DARPA Defense Advanced Research Projects Agency DFMA Design for Manufacturing and Assembly DICE DARPA Initiative In Concurrent Engineering

  4. Water-Based Coating Simplifies Circuit Board Manufacturing

    NASA Technical Reports Server (NTRS)

    2008-01-01

    The Structures and Materials Division at Glenn Research Center is devoted to developing advanced, high-temperature materials and processes for future aerospace propulsion and power generation systems. The Polymers Branch falls under this division, and it is involved in the development of high-performance materials, including polymers for high-temperature polymer matrix composites; nanocomposites for both high- and low-temperature applications; durable aerogels; purification and functionalization of carbon nanotubes and their use in composites; computational modeling of materials and biological systems and processes; and developing polymer-derived molecular sensors. Essentially, this branch creates high-performance materials to reduce the weight and boost performance of components for space missions and aircraft engine components. Under the leadership of chemical engineer, Dr. Michael Meador, the Polymers Branch boasts world-class laboratories, composite manufacturing facilities, testing stations, and some of the best scientists in the field.

  5. Manufacturing with the Sun

    NASA Technical Reports Server (NTRS)

    Murphy, Lawrence M.; Hauser, Steven G.; Clyne, Richard J.

    1991-01-01

    Concentrated solar radiation is now a viable alternative source for many advanced manufacturing processes. Researchers at the National Renewable Energy Laboratory (NREL) have demonstrated the feasibility of processes such as solar induced surface transformation of materials (SISTM), solar based manufacturing, and solar pumped lasers. Researchers are also using sunlight to decontaminate water and soils polluted with organic compounds; these techniques could provide manufacturers with innovative alternatives to traditional methods of waste management. The solar technology that is now being integrated into today's manufacturing processes offer greater potential for tomorrow, especially as applied to the radiation abundant environment available in space and on the lunar surface.

  6. Automation in optics manufacturing

    NASA Astrophysics Data System (ADS)

    Pollicove, Harvey M.; Moore, Duncan T.

    1991-01-01

    The optics industry has not followed the lead of the machining and electronics industries in applying advances in computer aided engineering (CAE), computer assisted manufacturing (CAM), automation or quality management techniques. Automation based on computer integrated manufacturing (CIM) and flexible machining systems (FMS) has been widely implemented in these industries. Optics continues to rely on standalone equipment that preserves the highly skilled, labor intensive optical fabrication systems developed in the 1940's. This paper describes development initiatives at the Center for Optics Manufacturing that will create computer integrated manufacturing technology and support processes for the optical industry.

  7. Automation for optics manufacturing

    NASA Astrophysics Data System (ADS)

    Pollicove, Harvey M.; Moore, Duncan T.

    1990-11-01

    The optics industry has not followed the lead of the machining and electronics industries in applying advances In computer aided engineering (CAE), computer assisted manufacturing (CAM), automation or quality management techniques. Automationbased on computer integrated manufacturing (CIM) and flexible machining systems (FMS) has been widely implemented In these industries. Optics continues to rely on standalone equipment that preserves the highly skilled, labor intensive optical fabrication systems developed in the 1940's. This paper describes development initiatives at the Center for Optics Manufacturing that will create computer integrated manufacturing technology and support processes for the optical industry.

  8. Plasmid DNA manufacturing technology.

    PubMed

    Carnes, Aaron E; Williams, James A

    2007-01-01

    Today, plasmid DNA is becoming increasingly important as the next generation of biotechnology products (gene medicines and DNA vaccines) make their way into clinical trials, and eventually into the pharmaceutical marketplace. This review summarizes recent patents and patent applications relating to plasmid manufacturing, in the context of a comprehensive description of the plasmid manufacturing intellectual property landscape. Strategies for plasmid manufacturers to develop or in-license key plasmid manufacturing technologies are described with the endpoint of efficiently producing kg quantities of plasmid DNA of a quality that meets anticipated European and FDA quality specifications for commercial plasmid products.

  9. Peridynamic modeling and simulation of polymer-nanotube composites

    NASA Astrophysics Data System (ADS)

    Henke, Steven F.

    In this document, we develop and demonstrate a framework for simulating the mechanics of polymer materials that are reinforced by carbon nanotubes. Our model utilizes peridynamic theory to describe the mechanical response of the polymer and polymer-nanotube interfaces. We benefit from the continuum formulation used in peridynamics because (1) it allows the polymer material to be coarse-grained to the scale of the reinforcing nanofibers, and (2) failure via nanotube pull-out and matrix tearing are possible based on energetic considerations alone (i.e. without special treatment). To reduce the degrees of freedom that must be simulated, the reinforcement effect of the nanotubes is represented by a mesoscale bead-spring model. This approach permits the arbitrary placement of reinforcement ``strands'' in the problem domain and motivates the need for irregular quadrature point distributions, which have not yet been explored in the peridynamic setting. We address this matter in detail and report on aspects of mesh sensitivity that we uncovered in peridynamic simulations. Using a manufactured solution, we study the effects of quadrature point placement on the accuracy of the solution scheme in one and two dimensions. We demonstrate that square grids and the generator points of a centroidal Voronoi tessellation (CVT) support solutions of similar accuracy, but CVT grids have desirable characteristics that may justify the additional computational cost required for their construction. Impact simulations provide evidence that CVT grids support fracture patterns that resemble those obtained on higher resolution cubic Cartesian grids with a reduced computational burden. With the efficacy of irregular meshing schemes established, we exercise our model by dynamically stretching a cylindrical specimen composed of the polymer-nanotube composite. We vary the number of reinforcements, alignment of the filler, and the properties of the polymer-nanotube interface. Our results suggest

  10. Polymers containing borane or carborane cage compounds and related applications

    DOEpatents

    Bowen, III, Daniel E; Eastwood, Eric A

    2013-04-23

    Polymers comprising residues of cage compound monomers having at least one polyalkoxy silyl substituent are provided. The cage compound monomers are selected from borane cage compound monomers comprising at least 7 cage atoms and/or carborane cage compound monomers comprising 7 to 11 cage compound monomers. Such polymers can further comprise one or more reactive matrices and/or co-monomers covalently bound with the cage compound monomer residues. Articles of manufacture comprising such polymers are also disclosed.

  11. Physical and Electrical Characterization of Polymer Aluminum Capacitors

    NASA Technical Reports Server (NTRS)

    Liu, David; Sampson, Michael J.

    2010-01-01

    Polymer aluminum capacitors from several manufacturers with various combinations of capacitance, rated voltage, and ESR values were physically examined and electrically characterized. The physical construction analysis of the capacitors revealed three different capacitor structures, i.e., traditional wound, stacked, and laminated. Electrical characterization results of polymer aluminum capacitors are reported for frequency-domain dielectric response at various temperatures, surge breakdown voltage, and other dielectric properties. The structure-property relations in polymer aluminum capacitors are discussed.

  12. Physical and Electrical Characterization of Aluminum Polymer Capacitors

    NASA Technical Reports Server (NTRS)

    Liu, David; Sampson, Michael J.

    2010-01-01

    Polymer aluminum capacitors from several manufacturers with various combinations of capacitance, rated voltage, and ESR values were physically examined and electrically characterized. The physical construction analysis of the capacitors revealed three different capacitor structures, i.e., traditional wound, stacked, and laminated. Electrical characterization results of polymer aluminum capacitors are reported for frequency-domain dielectric response at various temperatures, surge breakdown voltage, and other dielectric properties. The structure-property relations in polymer aluminum capacitors are discussed.

  13. Low molecular weight components of polymers used in packaging.

    PubMed Central

    Gilbert, S G

    1975-01-01

    The increasing use of polymers in packaging of foods and drugs focuses attention on the possible chronic toxicity relations of migrants from these polymers to the contents. Such migrants can arise from residues and additives in the polymers from manufacturing processes used in fabrication of packages. The origin and chemical nature of potential migrants, the methods of transfer, and principles involved in development of safety criteria for their regulation are discussed. PMID:1236793

  14. STIR: Microwave Response of Carbon Nanotubes in Polymer Nanocomposite Welds

    DTIC Science & Technology

    2016-01-28

    STIR: RDRL-ROE-M: Microwave Response of Carbon Nanotubes in Polymer Nanocomposite Welds Thrust 1 of the STIR project examines the heat response of...polymer composites loaded with carbon nanotubes (CNTs) to microwave irradiation. This involves (1) a study of how CNT loading affects dielectric...27709-2211 polymer, carbon nanotube , manufacturing, diffusion, heating, microwave REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S

  15. On the theory of the proton dipolar-correlation effect as a method for investigation of segmental displacement in polymer melts

    NASA Astrophysics Data System (ADS)

    Lozovoi, A.; Petrova, L.; Mattea, C.; Stapf, S.; Rössler, E. A.; Fatkullin, N.

    2017-08-01

    A thorough theoretical description of the recently suggested method [A. Lozovoi et al. J. Chem. Phys. 144, 241101 (2016)] based on the proton NMR dipolar-correlation effect allowing for the investigation of segmental diffusion in polymer melts is presented. It is shown that the initial rise of the proton dipolar-correlation build-up function, constructed from Hahn Echo signals measured at times t and t/2, contains additive contributions from both inter- and intramolecular magnetic dipole-dipole interactions. The intermolecular contribution depends on the relative mean-squared displacement of polymer segments from different macromolecules, which provides an opportunity for an experimental study of segmental translational motions at the millisecond range that falls outside the typical range accessible by other methods, i.e., neutron scattering or NMR spin echo with the magnetic field gradients. A comparison with the other two proton NMR methods based on transverse spin relaxation phenomena, i.e., solid echo and double quantum resonance, shows that the initial rise of the build-up functions in all the discussed methods is essentially identical and differs only in numerical coefficients. In addition, it is argued that correlation functions constructed in the same manner as the dipolar-correlation build-up function can be applied for an experimental determination of a mean relaxation rate in the case of systems possessing multi-exponential magnetization decay.

  16. Manufacturers' support policies.

    PubMed

    1992-09-01

    Choosing an effective plan for supporting a medical device is critical to its safe use, cost-effectiveness, and longevity. Hospitals can choose from a variety of support providers, including manufacturers, third-party service vendors, or hospital clinical engineering (CE) departments. However, if the hospital plans to use a third-party service vendor or its own CE department to provide support, the manufacturer's cooperation or assistance will still be needed to implement the support plan effectively. Over the years, ECRI has received many comments from hospitals about the way in which manufacturers respond to their equipment support needs. We have learned that some manufacturers are not willing to assist third-party service vendors or in-house service programs or do not always deliver the support they promise. Also, hospitals do not always consider their support needs before purchase, when they have the most leverage to negotiate flexible support arrangements. To help foster better equipment support and customer satisfaction, we polled manufacturers that have participated in recent Health Devices Evaluations to obtain detailed information about their policies toward manufacturers' contract, third-party, and in-house support. Ready access to this information will help hospitals evaluate whether manufacturers' support policies will meet their needs, and it will allow them to minimize problems by working with the manufacturer to negotiate optimal support arrangements during the purchase process. In this article, we briefly discuss the factors to consider when evaluating support alternatives and manufacturers' support policies. We also present the questions posed to each manufacturer on our Manufacturers' Support Policies Questionnaire, along with a summary of the responses that we received for each question.(ABSTRACT TRUNCATED AT 250 WORDS)

  17. Polymer quantum mechanics and its continuum limit

    SciTech Connect

    Corichi, Alejandro; Vukasinac, Tatjana; Zapata, Jose A.

    2007-08-15

    A rather nonstandard quantum representation of the canonical commutation relations of quantum mechanics systems, known as the polymer representation, has gained some attention in recent years, due to its possible relation with Planck scale physics. In particular, this approach has been followed in a symmetric sector of loop quantum gravity known as loop quantum cosmology. Here we explore different aspects of the relation between the ordinary Schroedinger theory and the polymer description. The paper has two parts. In the first one, we derive the polymer quantum mechanics starting from the ordinary Schroedinger theory and show that the polymer description arises as an appropriate limit. In the second part we consider the continuum limit of this theory, namely, the reverse process in which one starts from the discrete theory and tries to recover back the ordinary Schroedinger quantum mechanics. We consider several examples of interest, including the harmonic oscillator, the free particle, and a simple cosmological model.

  18. 21 CFR 178.2010 - Antioxidants and/or stabilizers for polymers.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Antioxidants and/or stabilizers for polymers. 178... polymers. The substances listed in paragraph (b) of this section may be safely used as antioxidants and/or stabilizers in polymers used in the manufacture of articles or components of articles intended for use...

  19. 21 CFR 178.2010 - Antioxidants and/or stabilizers for polymers.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Antioxidants and/or stabilizers for polymers. 178... polymers. The substances listed in paragraph (b) of this section may be safely used as antioxidants and/or stabilizers in polymers used in the manufacture of articles or components of articles intended for use...

  20. 21 CFR 178.2010 - Antioxidants and/or stabilizers for polymers.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Antioxidants and/or stabilizers for polymers. 178... polymers. The substances listed in paragraph (b) of this section may be safely used as antioxidants and/or stabilizers in polymers used in the manufacture of articles or components of articles intended for use...

  1. Kinetics of Polymer Interfacial Reaction

    NASA Astrophysics Data System (ADS)

    Zhang, Shuo; Koberstein, Jeffrey

    2012-02-01

    Germanium crystals modified with high quality azide functional monolayers are used to directly monitor in situ the kinetics of interfacial ``click'' reactions with complementary alkyne end-functional poly(n-butyl acrylate) (PnBA) and polystyrene (PS) by attenuated total reflectance infrared spectroscopy (ATR-IR). In the presence of copper (I), the azide-modified Ge substrates react quantitatively with PnBA and PS via a 1,3-dipolar cycloaddition reaction. Time-resolved ATR-IR measurements show two regimes of kinetic behavior, as predicted by theory. In the first regime the rate is rapid and is controlled by diffusion of the polymer through the solvent, scaling with the square root of time. The rate slows considerably in the second regime, limited by penetration of the reacting polymer through the covalently bound polymer brush layer, scaling with the natural logarithm of time. The influence of polymer size and solvent quality are reported.

  2. Multi-layer laminate structure and manufacturing method

    DOEpatents

    Keenihan, James R.; Cleereman, Robert J.; Eurich, Gerald; Graham, Andrew T.; Langmaid, Joe A.

    2013-01-29

    The present invention is premised upon a multi-layer laminate structure and method of manufacture, more particularly to a method of constructing the multi-layer laminate structure utilizing a laminate frame and at least one energy activated flowable polymer.

  3. Multi-layer laminate structure and manufacturing method

    DOEpatents

    Keenihan, James R [Midland, MI; Cleereman, Robert J [Midland, MI; Eurich, Gerald [Merrill, MI; Graham, Andrew T [Midland, MI; Langmaid, Joe A [Caro, MI

    2012-04-24

    The present invention is premised upon a multi-layer laminate structure and method of manufacture, more particularly to a method of constructing the multi-layer laminate structure utilizing a laminate frame and at least one energy activated flowable polymer.

  4. Method for anisotropic etching in the manufacture of semiconductor devices

    DOEpatents

    Koontz, Steven L.; Cross, Jon B.

    1993-01-01

    Hydrocarbon polymer coatings used in microelectronic manufacturing processes are anisotropically etched by atomic oxygen beams (translational energies of 0.2-20 eV, preferably 1-10 eV). Etching with hyperthermal (kinetic energy>1 eV) oxygen atom species obtains highly anisotropic etching with sharp boundaries between etched and mask-protected areas.

  5. Method for anisotropic etching in the manufacture of semiconductor devices

    NASA Technical Reports Server (NTRS)

    Koontz, Steven L. (Inventor); Cross, Jon B. (Inventor)

    1993-01-01

    Hydrocarbon polymer coatings used in microelectronic manufacturing processes are anisotropically etched by hyperthermal atomic oxygen beams (translational energies of 0.2 to 20 eV, preferably 1 to 10 eV). Etching with hyperthermal oxygen atom species obtains highly anisotropic etching with sharp boundaries between etched and mask protected areas.

  6. Computer Aided Manufacturing.

    ERIC Educational Resources Information Center

    Insolia, Gerard

    This document contains course outlines in computer-aided manufacturing developed for a business-industry technology resource center for firms in eastern Pennsylvania by Northampton Community College. The four units of the course cover the following: (1) introduction to computer-assisted design (CAD)/computer-assisted manufacturing (CAM); (2) CAM…

  7. Manufacturing Education Curriculum Project.

    ERIC Educational Resources Information Center

    Umstattd, William D.

    The Manufacturing Education Curriculum Project's feasibility study concerned with industrial arts curriculum development in manufacturing for the senior high school level is described. The need for an industrial arts curriculum which meets and reflects present and future trends is discussed in the introduction, followed by a review of the…

  8. Additive Manufactured Product Integrity

    NASA Technical Reports Server (NTRS)

    Waller, Jess; Wells, Doug; James, Steve; Nichols, Charles

    2017-01-01

    NASA is providing key leadership in an international effort linking NASA and non-NASA resources to speed adoption of additive manufacturing (AM) to meet NASA's mission goals. Participants include industry, NASA's space partners, other government agencies, standards organizations and academia. Nondestructive Evaluation (NDE) is identified as a universal need for all aspects of additive manufacturing.

  9. Clean Energy Manufacturing Initiative

    SciTech Connect

    2013-04-01

    The initiative will strategically focus and rally EERE’s clean energy technology offices and Advanced Manufacturing Office around the urgent competitive opportunity for the United States to be the leader in the clean energy manufacturing industries and jobs of today and tomorrow.

  10. Manufacturing Education Curriculum Project.

    ERIC Educational Resources Information Center

    Umstattd, William D.

    The Manufacturing Education Curriculum Project's feasibility study concerned with industrial arts curriculum development in manufacturing for the senior high school level is described. The need for an industrial arts curriculum which meets and reflects present and future trends is discussed in the introduction, followed by a review of the…

  11. ADVANCED MANUFACTURING TEAM

    NASA Image and Video Library

    2016-03-17

    JOHNNIE CLARK, BRIAN WEST, AND ZACK JONES OF MSFC’S ADVANCED MANUFACTURING TEAM, WITH MSFC’S XLINE SELECTIVE LASER MELTING SYSTEM. CURRENTLY ONE OF THE LARGEST METAL 3D PRINTERS, THE XLINE AT MARSHALL IS BEING USED TO DEVELOP AND CERTIFY NICKEL ALLOY 718 MATERIAL PROPERTIES AND LARGE MANUFACTURING TECH DEMOS FOR THE RS25 ENGINE AND THE COMMERCIAL CREWED VEHICLE PROJECTS.

  12. Heat pipe manufacturing study

    NASA Technical Reports Server (NTRS)

    Edelstein, F.

    1974-01-01

    Heat pipe manufacturing methods are examined with the goal of establishing cost effective procedures that will ultimately result in cheaper more reliable heat pipes. Those methods which are commonly used by all heat pipe manufacturers have been considered, including: (1) envelope and wick cleaning, (2) end closure and welding, (3) mechanical verification, (4) evacuation and charging, (5) working fluid purity, and (6) charge tube pinch off. The study is limited to moderate temperature aluminum and stainless steel heat pipes with ammonia, Freon-21 and methanol working fluids. Review and evaluation of available manufacturers techniques and procedures together with the results of specific manufacturing oriented tests have yielded a set of recommended cost-effective specifications which can be used by all manufacturers.

  13. Accurate effective pair potentials for polymer solutions

    NASA Astrophysics Data System (ADS)

    Bolhuis, P. G.; Louis, A. A.; Hansen, J. P.; Meijer, E. J.

    2001-03-01

    Dilute or semidilute solutions of nonintersecting self-avoiding walk (SAW) polymer chains are mapped onto a fluid of "soft" particles interacting via an effective pair potential between their centers of mass. This mapping is achieved by inverting the pair distribution function of the centers of mass of the original polymer chains, using integral equation techniques from the theory of simple fluids. The resulting effective pair potential is finite at all distances, has a range of the order of the radius of gyration, and turns out to be only moderately concentration-dependent. The dependence of the effective potential on polymer length is analyzed in an effort to extract the scaling limit. The effective potential is used to derive the osmotic equation of state, which is compared to simulation data for the full SAW segment model, and to the predictions of renormalization group calculations. A similar inversion procedure is used to derive an effective wall-polymer potential from the center of mass density profiles near the wall, obtained from simulations of the full polymer segment model. The resulting wall-polymer potential turns out to depend strongly on bulk polymer concentration when polymer-polymer correlations are taken into account, leading to a considerable enhancement of the effective repulsion with increasing concentration. The effective polymer-polymer and wall-polymer potentials are combined to calculate the depletion interaction induced by SAW polymers between two walls. The calculated depletion interaction agrees well with the "exact" results from much more computer-intensive direct simulation of the full polymer-segment model, and clearly illustrates the inadequacy—in the semidilute regime—of the standard Asakura-Oosawa approximation based on the assumption of noninteracting polymer coils.

  14. Polymer inflation

    NASA Astrophysics Data System (ADS)

    Hassan, Syed Moeez; Husain, Viqar; Seahra, Sanjeev S.

    2015-03-01

    We consider the semiclassical dynamics of a free massive scalar field in a homogeneous and isotropic cosmological spacetime. The scalar field is quantized using the polymer quantization method assuming that it is described by a Gaussian coherent state. For quadratic potentials, the semiclassical equations of motion yield a universe that has an early "polymer inflation" phase which is generic and almost exactly de Sitter, followed by an epoch of slow-roll inflation. We compute polymer corrections to the slow-roll formalism, and discuss the probability of inflation in this model using a physical Hamiltonian arising from time gauge fixing. We also show how in this model, it is possible to obtain a significant amount of slow-roll inflation from sub-Planckian initial data, hence circumventing some of the criticisms of standard scenarios. These results show the extent to which a quantum gravity motivated quantization method affects early universe dynamics.

  15. Antimocrobial Polymer

    DOEpatents

    McDonald, William F.; Huang, Zhi-Heng; Wright, Stacy C.

    2005-09-06

    A polymeric composition having antimicrobial properties and a process for rendering the surface of a substrate antimicrobial are disclosed. The composition comprises a crosslinked chemical combination of (i) a polymer having amino group-containing side chains along a backbone forming the polymer, (ii) an antimicrobial agent selected from quaternary ammonium compounds, gentian violet compounds, substituted or unsubstituted phenols, biguanide compounds, iodine compounds, and mixtures thereof, and (iii) a crosslinking agent containing functional groups capable of reacting with the amino groups. In one embodiment, the polymer is a polyamide formed from a maleic anhydride or maleic acid ester monomer and alkylamines thereby producing a polyamide having amino substituted alkyl chains on one side of the polyamide backbone; the crosslinking agent is a phosphine having the general formula (A)3P wherein A is hydroxyalkyl; and the antimicrobial agent is chlorhexidine, dimethylchlorophenol, cetyl pyridinium chloride, gentian violet, triclosan, thymol, iodine, and mixtures thereof.

  16. Antimicrobial Polymer

    DOEpatents

    McDonald, William F.; Wright, Stacy C.; Taylor, Andrew C.

    2004-09-28

    A polymeric composition having antimicrobial properties and a process for rendering the surface of a substrate antimicrobial are disclosed. The polymeric composition comprises a crosslinked chemical combination of (i) a polymer having amino group-containing side chains along a backbone forming the polymer, (ii) an antimicrobial agent selected from metals, metal alloys, metal salts, metal complexes and mixtures thereof, and (iii) a crosslinking agent containing functional groups capable of reacting with the amino groups. In one example embodiment, the polymer is a polyamide formed from a maleic anhydride or maleic acid ester monomer and alkylamines thereby producing a polyamide having amino substituted alkyl chains on one side of the polyamide backbone; the crosslinking agent is a phosphine having the general formula (A).sub.3 P wherein A is hydroxyalkyl; and the metallic antimicrobial agent is selected from chelated silver ions, silver metal, chelated copper ions, copper metal, chelated zinc ions, zinc metal and mixtures thereof.

  17. 40 CFR 723.250 - Polymers.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... new chemical substance under the terms of this section, a manufacturer must: (i) Determine that the... of chemical substances has the same meaning as in section 26(c)(2) of the Act (15 U.S.C. 2625... atoms covalently linked to its polymer molecule. Chemical substance, Director, EPA, importer,...

  18. 40 CFR 723.250 - Polymers.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... new chemical substance under the terms of this section, a manufacturer must: (i) Determine that the... of chemical substances has the same meaning as in section 26(c)(2) of the Act (15 U.S.C. 2625... atoms covalently linked to its polymer molecule. Chemical substance, Director, EPA, importer,...

  19. 40 CFR 723.250 - Polymers.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... new chemical substance under the terms of this section, a manufacturer must: (i) Determine that the... of chemical substances has the same meaning as in section 26(c)(2) of the Act (15 U.S.C. 2625... atoms covalently linked to its polymer molecule. Chemical substance, Director, EPA, importer,...

  20. Blowing Polymer Bubbles in an Acoustic Levitator

    NASA Technical Reports Server (NTRS)

    Lee, M. C.

    1985-01-01

    In new manufacturing process, small gas-filled polymer shells made by injecting gas directly into acoustically levitated prepolymer drops. New process allows sufficient time for precise control of shell geometry. Applications foreseen in fabrication of deuterium/tritium-filled fusion targets and in pharmaceutical coatings. New process also useful in glass blowing and blow molding.

  1. Thermoset epoxy polymers from renewable resources

    DOEpatents

    East, Anthony; Jaffe, Michael; Zhang, Yi; Catalani, Luiz H

    2009-11-17

    Novel thermoset epoxy polymers using the bisglycidyl ethers of anhydrosugars, such as isosorbide, isomannide, and isoidide, are disclosed. The bisglycidyl ethers are useful as substitutes for bisphenol A in the manufacture of thermoset epoxy ethers. The anhydrosugars are derived from renewable sources and the bisglycidyl ethers are not xenoestrogenic and the thermoset curing agents are likewise derived form renewable resources.

  2. Confinement, curvature, and attractive interaction effects on polymer surface adsorption

    NASA Astrophysics Data System (ADS)

    Chien, Wei; Chen, Yeng-Long

    2017-08-01

    We investigate the conformation and dynamics of a semi-flexible polymer near an attractive plane or a cylindrical post using Langevin dynamics. We characterize the transition from the desorbed to absorbed state and quantify how absorption depends on the attraction interaction, polymer molecular weight, polymer flexibility, intra-polymer interaction, and micro-confinement. We find that the critical point of adsorption for ideal flexible polymers only weakly depends on confinement. However, the critical point of adsorption increases significantly for self-avoiding flexible polymers and under confinement, deviating from scaling theory predictions. These findings provide insights into DNA surface adsorption in nanoslits and nanochannels.

  3. Injection molded polymer optics in the 21st Century

    NASA Astrophysics Data System (ADS)

    Beich, William S.

    2005-08-01

    Precision polymer optics, manufactured by injection molding techniques, has been a key enabling technology for several decades now. The technology, which can be thought of as a subset of the wider field of precision optics manufacturing, was pioneered in the United States by companies such as Eastman Kodak, US Precision Lens, and Polaroid. In addition to suppliers in the U.S. there are several companies worldwide that design and manufacture precision polymer optics, for example Philips High Tech Plastics in Europe and Fujinon in Japan. Designers who are considering using polymer optics need a fundamental understanding of exactly how the optics are created. This paper will survey the technology and processes that are employed in the successful implementation of a polymer optic solution from a manufacturer's perspective. Special emphasis will be paid to the unique relationship between the molds and the optics that they produce. We will discuss the key elements of production: molding resins, molds and molding equipment, and metrology. Finally we will offer a case study to illustrate just how the optics designer carries a design concept through to production. The underlying theme throughout the discussion of polymer optics is the need for the design team to work closely with an experienced polymer optics manufacturer with a solid track record of success in molded optics. As will be seen shortly, the complex interaction between thermoplastics, molds, and molding machines dictates the need for working closely with a supplier who has the critical knowledge needed to manage all aspects of the program.

  4. Studies of light scattering and morphologies of phase-separated polymer/nanoparticle mixtures

    NASA Astrophysics Data System (ADS)

    Ding, Xuan

    Nowadays, solid "filler" particles can be found in many manufactured polymeric materials because of the enhanced thermal and mechanical properties these particles can offer. However, the influence of the "filler" particles, especially those with size on a nanoscopic scale, on the structural evolution of multicomponent systems, is still poorly understood. In this thesis, the spinodal decomposition (SD) of polystyrene/poly(vinyl methyl ether) (PS/PVME) polymer blend system mixed with different nanoparticles have been investigated by the small angle light scattering (SALS) technique. Interpreting the data using the Cahn-Hilliard linear theory and the scaling theory on early stage and late stage, respectively, we concluded that the addition of nanoparticles into the pure polymer blends can cause a retardation of the phase separation. Furthermore, experiments on polystyrene/poly(2-vinyl pyridine) (PS/P2VP) polymer blends mixed with polystyrene-covered gold nanoparticles (Au-PS) have shown that during the spinodal decomposition these Au-PS nanoparticles can self-assemble at the continuous PS/P2VP interface, due to the tendency to reduce interfacial energy, making it possible to create the so-called "bijel" structure (bicontinuous interfacially jammed emulsion jel). We believe that the "bijel" structures have a huge potential of being used in areas such as photovoltaics and catalysis, because of their large surface areas.

  5. Quality management of manufacturing process based on manufacturing execution system

    NASA Astrophysics Data System (ADS)

    Zhang, Jian; Jiang, Yang; Jiang, Weizhuo

    2017-04-01

    Quality control elements in manufacturing process are elaborated. And the approach of quality management of manufacturing process based on manufacturing execution system (MES) is discussed. The functions of MES for a microcircuit production line are introduced conclusively.

  6. Flexible Manufacturing Systems: What's in It for the Manufacturer.

    ERIC Educational Resources Information Center

    Chowdhury, A. R.; Peckman, Donald C.

    1987-01-01

    The authors define the Flexible Manufacturing System and outline its history. They describe what the processing time includes and provide advantages and disadvantages of Flexible Manufacturing Systems compared to conventional manufacturing. (CH)

  7. Excitons in conjugated polymers from first principles

    NASA Astrophysics Data System (ADS)

    van der Horst, J.-W.; Bobbert, P. A.; Pasveer, W. F.; Michels, M. A. J.; Brocks, G.; Kelly, P. J.

    2002-08-01

    By a combination of ab-initio computational techniques, based on density-functional theory, GW theory, and the Bethe-Salpeter equation, we study the opto-electronic properties of several conjugated polymers and in particular the properties of excitons. We study three different situations: (I) an isolated polymer chain, (II) a chain embedded in a dielectric medium, and (III) a polymer crystal. Surprisingly, the results obtained for situation (II) generally agree best with experiment. We discuss possible reasons for this rule and an interesting exception.

  8. Biodegradable Polymers and Stem Cells for Bioprinting.

    PubMed

    Lei, Meijuan; Wang, Xiaohong

    2016-04-29

    It is imperative to develop organ manufacturing technologies based on the high organ failure mortality and serious donor shortage problems. As an emerging and promising technology, bioprinting has attracted more and more attention with its super precision, easy reproduction, fast manipulation and advantages in many hot research areas, such as tissue engineering, organ manufacturing, and drug screening. Basically, bioprinting technology consists of inkjet bioprinting, laser-based bioprinting and extrusion-based bioprinting techniques. Biodegradable polymers and stem cells are common printing inks. In the printed constructs, biodegradable polymers are usually used as support scaffolds, while stem cells can be engaged to differentiate into different cell/tissue types. The integration of biodegradable polymers and stem cells with the bioprinting techniques has provided huge opportunities for modern science and technologies, including tissue repair, organ transplantation and energy metabolism.

  9. Rapid small lot manufacturing

    SciTech Connect

    Harrigan, R.W.

    1998-05-09

    The direct connection of information, captured in forms such as CAD databases, to the factory floor is enabling a revolution in manufacturing. Rapid response to very dynamic market conditions is becoming the norm rather than the exception. In order to provide economical rapid fabrication of small numbers of variable products, one must design with manufacturing constraints in mind. In addition, flexible manufacturing systems must be programmed automatically to reduce the time for product change over in the factory and eliminate human errors. Sensor based machine control is needed to adapt idealized, model based machine programs to uncontrolled variables such as the condition of raw materials and fabrication tolerances.

  10. Influence of Polymer-Excluded Volume on the Phase-Behavior of Colloid-Polymer Mixtures

    NASA Astrophysics Data System (ADS)

    Bolhuis, P. G.; Louis, A. A.; Hansen, J.-P.

    2002-09-01

    We determine the depletion-induced phase-behavior of hard-sphere colloids and interacting polymers by large-scale Monte Carlo simulations using very accurate coarse-graining techniques. A comparison with standard Asakura-Oosawa model theories and simulations shows that including excluded-volume interactions between polymers leads to qualitative differences in the phase diagrams. These effects become increasingly important for larger relative polymer size. Our simulation results agree quantitatively with recent experiments.

  11. Polymer solutions

    DOEpatents

    Krawczyk, Gerhard Erich; Miller, Kevin Michael

    2011-07-26

    There is provided a method of making a polymer solution comprising polymerizing one or more monomer in a solvent, wherein said monomer comprises one or more ethylenically unsaturated monomer that is a multi-functional Michael donor, and wherein said solvent comprises 40% or more by weight, based on the weight of said solvent, one or more multi-functional Michael donor.

  12. Antimicrobial polymers.

    PubMed

    Jain, Anjali; Duvvuri, L Sailaja; Farah, Shady; Beyth, Nurit; Domb, Abraham J; Khan, Wahid

    2014-12-01

    Better health is basic requirement of human being, but the rapid growth of harmful pathogens and their serious health effects pose a significant challenge to modern science. Infections by pathogenic microorganisms are of great concern in many fields such as medical devices, drugs, hospital surfaces/furniture, dental restoration, surgery equipment, health care products, and hygienic applications (e.g., water purification systems, textiles, food packaging and storage, major or domestic appliances etc.) Antimicrobial polymers are the materials having the capability to kill/inhibit the growth of microbes on their surface or surrounding environment. Recently, they gained considerable interest for both academic research and industry and were found to be better than their small molecular counterparts in terms of enhanced efficacy, reduced toxicity, minimized environmental problems, resistance, and prolonged lifetime. Hence, efforts have focused on the development of antimicrobial polymers with all desired characters for optimum activity. In this Review, an overview of different antimicrobial polymers, their mechanism of action, factors affecting antimicrobial activity, and application in various fields are given. Recent advances and the current clinical status of these polymers are also discussed.

  13. Dielectric breakdown of additively manufactured polymeric materials

    SciTech Connect

    Monzel, W. Jacob; Hoff, Brad W.; Maestas, Sabrina S.; French, David M.; Hayden, Steven C.

    2016-01-11

    Dielectric strength testing of selected Polyjet-printed polymer plastics was performed in accordance with ASTM D149. This dielectric strength data is compared to manufacturer-provided dielectric strength data for selected plastics printed using the stereolithography (SLA), fused deposition modeling (FDM), and selective laser sintering (SLS) methods. Tested Polyjet samples demonstrated dielectric strengths as high as 47.5 kV/mm for a 0.5 mm thick sample and 32.1 kV/mm for a 1.0 mm sample. As a result, the dielectric strength of the additively manufactured plastics evaluated as part of this study was lower than the majority of non-printed plastics by at least 15% (with the exception of polycarbonate).

  14. Dielectric breakdown of additively manufactured polymeric materials

    DOE PAGES

    Monzel, W. Jacob; Hoff, Brad W.; Maestas, Sabrina S.; ...

    2016-01-11

    Dielectric strength testing of selected Polyjet-printed polymer plastics was performed in accordance with ASTM D149. This dielectric strength data is compared to manufacturer-provided dielectric strength data for selected plastics printed using the stereolithography (SLA), fused deposition modeling (FDM), and selective laser sintering (SLS) methods. Tested Polyjet samples demonstrated dielectric strengths as high as 47.5 kV/mm for a 0.5 mm thick sample and 32.1 kV/mm for a 1.0 mm sample. As a result, the dielectric strength of the additively manufactured plastics evaluated as part of this study was lower than the majority of non-printed plastics by at least 15% (with themore » exception of polycarbonate).« less

  15. Method for manufacture of neutron absorbing articles

    SciTech Connect

    Owens, D.

    1980-07-22

    A one-step curing method for the manufacture of a neutron absorbing article which comprises irreversibly curing, in desired article form, a form-retaining mixture of boron carbide particles, curable phenolic resin in solid state and in particula te form and a minor proportion of a liquid medium, which boils at a temperature below 200*c., at an elevated temperature so as to obtain bonding of the irreversibly cured phenolic polymer resulting to the boron carbide particles and production of the neutron absorbing article in desired form.

  16. Novel Nanotube Manufacturing Streamlines Production

    NASA Technical Reports Server (NTRS)

    2007-01-01

    Nanotubes have novel qualities that make them uniquely qualified for a plethora of uses, including applications in electronics, optics, and other scientific and industrial fields. The NASA process for creating these nanostructures involves using helium arc welding to vaporize an amorphous carbon rod and then form nanotubes by depositing the vapor onto a water-cooled carbon cathode, which then yields bundles, or ropes, of single-walled nanotubes at a rate of 2 grams per hour using a single setup. This eliminates costs associated with the use of metal catalysts, including the cost of product purification, resulting in a relatively inexpensive, high-quality, very pure end product. While managing to be less expensive, safer, and simpler, the process also increases the quality of the nanotubes. Goddard's Innovative Partnerships Program (IPP) Office promoted the technology, and in 2005, Boise-based Idaho Space Materials Inc. (ISM) was formed and applied for a nonexclusive license for the single-walled carbon nanotube (SWCNT) manufacturing technology. ISM commercialized its products, and the inexpensive, robust nanotubes are now in the hands of the scientists who will create the next generation of composite polymers, metals, and ceramics that will impact the way we live. In fact, researchers are examining ways for these newfound materials to be used in the manufacture of transistors and fuel cells, large screen televisions, ultra-sensitive sensors, high-resolution atomic force microscopy probes, supercapacitors, transparent conducting films, drug carriers, catalysts, and advanced composite materials, to name just a few of the myriad technologies to benefit.

  17. Polymer powders for selective laser sintering (SLS)

    NASA Astrophysics Data System (ADS)

    Schmid, Manfred; Amado, Antonio; Wegener, Konrad

    2015-05-01

    Selective Laser Sintering (SLS) is close to be accepted as a production technique (Additive Manufacturing). However, one problem limiting employment of SLS for additive manufacturing in a wide-ranging industrial scope is the narrow variety of applicable polymers. The commonly applied SLS powder to date is polyamide 12 (PA 12). PA 12 or ccompounds of PA 12 (dry blends) are approximately 90 % of complete industrial consumption. The remaining small quantity is distributed on polyamide 11 (PA11) and some other `exotic' polymers (TPU, PEBA, P(E)EK). Industry is awaiting commodity polymers like polypropylene (PP) or polyethylene (PE) crucial to open new market segments. But several approaches launching those polymers failed. But what are the reasons for the difficulties in developing new SLS powders? The contribution is to answer this and highlights the combination of intrinsic and extrinsic polymer properties necessary to generate a polymer powder promising for SLS application. Particle shape, powder distribution, thermal, rheological and optical requirements must be considered and only a particularly controlled property combination leads to successful SLS implementation. Thermal behavior, particle shape and -distribution is discussed in detail, although the other properties can't be disregarded for providing new commercially successful SLS powder finally.

  18. 75 FR 30781 - Manufacturing Council

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-02

    ... International Trade Administration Manufacturing Council AGENCY: International Trade Administration, U.S... Manufacturing Council. SUMMARY: On March 16, 2010, the Department of Commerce's International Trade... the Manufacturing Council (Council). The March 16, 2010 notice provided that all applications must...

  19. 75 FR 80040 - Manufacturing Council

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-21

    ... International Trade Administration Manufacturing Council AGENCY: International Trade Administration, U.S... Manufacturing Council. SUMMARY: On November 23, 2010, the Department of Commerce's International Trade... vacant position on the Manufacturing Council (Council). The November 23, 2010 notice provided that...

  20. Thermochromic polymer opals

    NASA Astrophysics Data System (ADS)

    Sussman, Jason; Snoswell, David; Kontogeorgos, Andreas; Baumberg, Jeremy J.; Spahn, Peter

    2009-10-01

    Large-scale shear-ordered photonic crystals are shown to exhibit unusual thermochromic properties. By balancing the refractive index of the polymer core and composite shell components at room temperature, transparent films are created, which become colored on heating to 150 °C. Since this scattering-based structural color depends only on resonant Bragg scattering of the unpigmented components, it can be tuned to any wavelength. The observed color shifts with temperature are not simply accounted for by theory and are sensitive to the constituents.

  1. Ultrasonic NDE Simulation for Composite Manufacturing Defects

    NASA Technical Reports Server (NTRS)

    Leckey, Cara A. C.; Juarez, Peter D.

    2016-01-01

    The increased use of composites in aerospace components is expected to continue into the future. The large scale use of composites in aerospace necessitates the development of composite-appropriate nondestructive evaluation (NDE) methods to quantitatively characterize defects in as-manufactured parts and damage incurred during or post manufacturing. Ultrasonic techniques are one of the most common approaches for defect/damage detection in composite materials. One key technical challenge area included in NASA's Advanced Composite's Project is to develop optimized rapid inspection methods for composite materials. Common manufacturing defects in carbon fiber reinforced polymer (CFRP) composites include fiber waviness (in-plane and out-of-plane), porosity, and disbonds; among others. This paper is an overview of ongoing work to develop ultrasonic wavefield based methods for characterizing manufacturing waviness defects. The paper describes the development and implementation of a custom ultrasound simulation tool that is used to model ultrasonic wave interaction with in-plane fiber waviness (also known as marcelling). Wavefield data processing methods are applied to the simulation data to explore possible routes for quantitative defect characterization.

  2. Computers in Manufacturing.

    ERIC Educational Resources Information Center

    Hudson, C. A.

    1982-01-01

    Advances in factory computerization (computer-aided design and computer-aided manufacturing) are reviewed, including discussions of robotics, human factors engineering, and the sociological impact of automation. (JN)

  3. ADVANCED MANUFACTURING TEAM

    NASA Image and Video Library

    2014-01-16

    ZACK JONES AND JIM LYDON OF MSFC’S ADVANCED MANUFACTURING TEAM, WITH MSFC’S M2 SELECTIVE LASER MELTING SYSTEM. THE M2 IS CURRENTLY DEDICATED TO ADVANCED COPPER MATERIAL DEVELOPMENT FOR THE LOW COST UPPER STAGE PROGRAM.

  4. Agile manufacturing concept

    NASA Astrophysics Data System (ADS)

    Goldman, Steven L.

    1994-03-01

    The initial conceptualization of agile manufacturing was the result of a 1991 study -- chaired by Lehigh Professor Roger N. Nagel and California-based entrepreneur Rick Dove, President of Paradigm Shifts, International -- of what it would take for U.S. industry to regain global manufacturing competitiveness by the early twenty-first century. This industry-led study, reviewed by senior management at over 100 companies before its release, concluded that incremental improvement of the current system of manufacturing would not be enough to be competitive in today's global marketplace. Computer-based information and production technologies that were becoming available to industry opened up the possibility of an altogether new system of manufacturing, one that would be characterized by a distinctive integration of people and technologies; of management and labor; of customers, producers, suppliers, and society.

  5. Self-assembly of patchy particles into polymer chains: a parameter-free comparison between Wertheim theory and Monte Carlo simulation.

    PubMed

    Sciortino, Francesco; Bianchi, Emanuela; Douglas, Jack F; Tartaglia, Piero

    2007-05-21

    The authors numerically study a simple fluid composed of particles having a hard-core repulsion, complemented by two short-ranged attractive (sticky) spots at the particle poles, which provides a simple model for equilibrium polymerization of linear chains. The simplicity of the model allows for a close comparison, with no fitting parameters, between simulations and theoretical predictions based on the Wertheim perturbation theory. This comparison offers a unique framework for the analytic prediction of the properties of self-assembling particle systems in terms of molecular parameters and liquid state correlation functions. The Wertheim theory has not been previously subjected to stringent tests against simulation data for ordering across the polymerization transition. The authors numerically determine many of the thermodynamic properties governing this basic form of self-assembly (energy per particle, order parameter or average fraction of particles in the associated state, average chain length, chain length distribution, average end-to-end distance of the chains, and the static structure factor) and find that predictions of the Wertheim theory accord remarkably well with the simulation results.

  6. Tolerancing of a carbon fiber reinforced polymer metering tube structure of a high-resolution space-borne telescope

    NASA Astrophysics Data System (ADS)

    Ekinci, Mustafa

    2016-07-01

    High resolution space borne telescopes require dimensionally stable structures to meet very stringent optical requirements. Furthermore, high resolution space borne telescope structures need to have high stiffness and be lightweight in order to survive launch loads. Carbon fiber reinforced polymers (CFRP) are lightweight and have tailorable mechanical properties like stiffness and coefficient of thermal expansion. However, mechanical properties are highly dependent on manufacturing processes and manufacturing precision. Moreover CFRP tend to absorb moisture which affects dimensional stability of the structure in the vacuum environment. In order to get specified properties out of manufacturing, tolerances need to be defined very accurately. In this paper, behavior of CFRP metering tube structure of a high resolution space borne camera is investigated for ply orientation, fiber and void content deviations which may arise from manufacturing errors and limitations. A computer code is generated to determine laminate properties of stacked up uni-directional (UD) laminae using classical laminate theory with fiber and matrix properties obtained from suppliers and literature. After defining laminate stackup, many samples are virtually created with ply orientations, volumetric fiber and void content that randomly deviates in a tolerance range which will be used in manufacturing. Normal distribution, standard deviation and mean values are presented for elasticity modulus, coefficient of thermal expansion (CTE), coefficient of moisture expansion (CME) and thermal conductivity in axial and transverse directions of quasi-isotropic stackups and other stackups which have properties presented in literature.

  7. Soft confinement for polymer solutions

    NASA Astrophysics Data System (ADS)

    Oya, Yutaka; Kawakatsu, Toshihiro

    2014-07-01

    As a model of soft confinement for polymers, we investigated equilibrium shapes of a flexible vesicle that contains a phase-separating polymer solution. To simulate such a system, we combined the phase field theory (PFT) for the vesicle and the self-consistent field theory (SCFT) for the polymer solution. We observed a transition from a symmetric prolate shape of the vesicle to an asymmetric pear shape induced by the domain structure of the enclosed polymer solution. Moreover, when a non-zero spontaneous curvature of the vesicle is introduced, a re-entrant transition between the prolate and the dumbbell shapes of the vesicle is observed. This re-entrant transition is explained by considering the competition between the loss of conformational entropy and that of translational entropy of polymer chains due to the confinement by the deformable vesicle. This finding is in accordance with the recent experimental result reported by Terasawa et al. (Proc. Natl. Acad. Sci. U.S.A., 108 (2011) 5249).

  8. Manufacturing development of visor for binocular helmet mounted display

    NASA Astrophysics Data System (ADS)

    Krevor, David; Edwards, Timothy; Larkin, Eric; Skubon, John; Speirs, Robert; Sowden, Tom

    2007-09-01

    The HMD (Helmet Mounted Display) visor is a sophisticated article. It is both the optical combiner for the display and personal protective equipment for the pilot. The visor must have dimensional and optical tolerances commensurate with precision optics; and mechanical properties sufficient for a ballistic shield. Optimized processes and tooling are necessary in order to manufacture a functional visor. This paper describes the manufacturing development of the visor for the Joint Strike Fighter (JSF) HMD. The analytical and experimental basis for the tool and manufacturing process development are described; as well as the metrological and testing methods to verify the visor design and function. The requirements for the F-35 JSF visor are a generation beyond those for the HMD visor which currently flies on the F-15, F-16 and F/A-18. The need for greater precision is manifest in the requirements for the tooling and molding process for the visor. The visor is injection-molded optical polycarbonate, selected for its combination of optical, mechanical and environmental properties. Proper design and manufacture of the tool - the mold - is essential. Design of the manufacturing tooling is an iterative process between visor design, mold design, mechanical modeling and polymer-flow modeling. Iterative design and manufacture enable the mold designer to define a polymer shrinkage factor more precise than derived from modeling or recommended by the resin supplier.

  9. Additive manufactured serialization

    DOEpatents

    Bobbitt, III, John T.

    2017-04-18

    Methods for forming an identifying mark in a structure are described. The method is used in conjunction with an additive manufacturing method and includes the alteration of a process parameter during the manufacturing process. The method can form in a unique identifying mark within or on the surface of a structure that is virtually impossible to be replicated. Methods can provide a high level of confidence that the identifying mark will remain unaltered on the formed structure.

  10. Graphene/Polymer Nanocomposites

    NASA Astrophysics Data System (ADS)

    Macosko, Chris

    2010-03-01

    Graphite has attracted large attention as a reinforcement for polymers due to its ability to modify electrical conductivity, mechanical and gas barrier properties of host polymers and its potentially lower cost than carbon nanotubes. If graphite can be exfoliated into atomically thin graphene sheets, it is possible to achieve the highest property enhancements at the lowest loading. However, small spacing and strong van der Waals forces between graphene layers make exfoliation of graphite via conventional composite manufacturing strategies challenging. Recently, two different approaches to obtain exfoliated graphite prior to blending were reported: thermal treatment (Schniepp et al., JACS 2006) and chemical modification (Stankovich et al., J Mat Chem 2006). Both start from graphite oxide. We will describe and evaluate these exfoliation approaches and the methods used to produce graphene reinforced thermoplastics, particularly polyester, polycarbonate and polyurethane nanocomposites. Three different dispersion methods - melt blending, solution mixing and in-situ polymerization -- are compared. Characterization of dispersion quality is illustrated with TEM, rheology and in electrical conductivity, tensile modulus and gas barrier property improvement.

  11. Human Issues in Manufacturing Technology

    DTIC Science & Technology

    1992-09-01

    conventional mass- production manufacturing and the benefits of lean manufacturing . The text details the results of a five-year, multi national study...data and comparisons between mass and lean manufacturing . The key objective is to "illustrate the transition from mass to lean production with...of reference for the transition from current manufacturing systems to the goal state of lean manufacturing . Manufacturing before change is referred to

  12. Polymers, Polymers, Everywhere! A Workshop for Pre-High School Teachers and Students.

    ERIC Educational Resources Information Center

    Sherman, Marie

    1987-01-01

    Described is a workshop for grades 5-8 school teachers and students related to synthetic polymers. Participants become familiar with polymer theory and practice experiments they can use in class. Sources of materials used in the workshop are listed. (RH)

  13. Manufacturing information system

    NASA Astrophysics Data System (ADS)

    Allen, D. K.; Smith, P. R.; Smart, M. J.

    1983-12-01

    The size and cost of manufacturing equipment has made it extremely difficult to perform realistic modeling and simulation of the manufacturing process in university research laboratories. Likewise the size and cost factors, coupled with many uncontrolled variables of the production situation has even made it difficult to perform adequate manufacturing research in the industrial setting. Only the largest companies can afford manufacturing research laboratories; research results are often held proprietary and seldom find their way into the university classroom to aid in education and training of new manufacturing engineers. It is the purpose for this research to continue the development of miniature prototype equipment suitable for use in an integrated CAD/CAM Laboratory. The equipment being developed is capable of actually performing production operations (e.g. drilling, milling, turning, punching, etc.) on metallic and non-metallic workpieces. The integrated CAD/CAM Mini-Lab is integrating high resolution, computer graphics, parametric design, parametric N/C parts programmings, CNC machine control, automated storage and retrieval, with robotics materials handling. The availability of miniature CAD/CAM laboratory equipment will provide the basis for intensive laboratory research on manufacturing information systems.

  14. Simulated Associating Polymer Networks

    NASA Astrophysics Data System (ADS)

    Billen, Joris

    Telechelic associating polymer networks consist of polymer chains terminated by endgroups that have a different chemical composition than the polymer backbone. When dissolved in a solution, the endgroups cluster together to form aggregates. At low temperature, a strongly connected reversible network is formed and the system behaves like a gel. Telechelic networks are of interest since they are representative for biopolymer networks (e.g. F-actin) and are widely used in medical applications (e.g. hydrogels for tissue engineering, wound dressings) and consumer products (e.g. contact lenses, paint thickeners). In this thesis such systems are studied by means of a molecular dynamics/Monte Carlo simulation. At first, the system in rest is studied by means of graph theory. The changes in network topology upon cooling to the gel state, are characterized. Hereto an extensive study of the eigenvalue spectrum of the gel network is performed. As a result, an in-depth investigation of the eigenvalue spectra for spatial ER, scale-free, and small-world networks is carried out. Next, the gel under the application of a constant shear is studied, with a focus on shear banding and the changes in topology under shear. Finally, the relation between the gel transition and percolation is discussed.

  15. Advanced Polymer

    NASA Technical Reports Server (NTRS)

    1992-01-01

    In the mid-1980's, Langley developed a polyimide sulfone, combining desirable properties of two classes of polymers. Composites and other products made from polyimide sulfone can be used with solvents and corrosive fluids, are light weight, low cost and can be easily fabricated for a wide range of industrial uses. High Technology Systems, Inc. obtained a license for the polymer and was awarded a Small Business Innovation Research (SBIR) contract for development in a powder form. Although its principal use is as a matrix resin for composites, the material can also be used as a high temperature structural adhesive for aircraft structures and as a coating for protection from heat and radiation for electronic components.

  16. Phthalocyanine polymers

    NASA Technical Reports Server (NTRS)

    Achar, B. N.; Fohlen, G. M.; Parker, J. A. (Inventor)

    1985-01-01

    A method of forming 4,4',4'',4''' -tetraamino phthalocyanines involves reducing 4,4',4'',4''' -tetranitro phthalocyanines, polymerizing the metal tetraamino phthalocyanines with a tetracarboxylic dianhydride (preferably aromatic) or copolymerizing with a tetracarboxylic dianhydride and a diamine (preferably also aromatic) to produce amic acids which are then dehydrocyclized to imides. Thermally and oxidatively stable polymers result which form tough, flexible films, varnishes, adhesives, and fibers.

  17. Theoretical Polymers.

    DTIC Science & Technology

    1976-10-07

    for the correlation length of 3/4, while 0.72 is observed. Then followed several talks on the expansion coefficient a, the virial coefficients and...calculation of the virial coefficient and c~2. These quantities can be considered merely a testing ground for the use of this method to polymer...the second viria]. coefficient , A2, to be zero and the intrinsic viscosity dependent on~VW for polystyrene mole-cular weights between 33,000 and one

  18. Polymer Energy Rechargeable System Battery Being Developed

    NASA Technical Reports Server (NTRS)

    Manzo, Michelle A.

    2003-01-01

    Long description. Illustrations of discotic liquid crystals, rod-coil polymers, lithium-ion conducting channel dilithium phthalocyanine (Li2Pc) from top and side, novel star polyethylene oxide structures, composite polyethylene oxide materials (showing polyethylene oxide + lithium salt, carbon atoms and oxygen atoms), homopolyrotaxanes, and diblock copolymers In fiscal year 2000, NASA established a program to develop the next generation, lithium-based, polymer electrolyte batteries for aerospace applications. The goal of this program, known as Polymer Energy Rechargeable Systems (PERS), is to develop a space-qualified, advanced battery system embodying polymer electrolyte and lithium-based electrode technologies and to establish world-class domestic manufacturing capabilities for advanced batteries with improved performance characteristics that address NASA s future aerospace battery requirements.

  19. Periodic Polymers

    NASA Astrophysics Data System (ADS)

    Thomas, Edwin

    2013-03-01

    Periodic polymers can be made by self assembly, directed self assembly and by photolithography. Such materials provide a versatile platform for 1, 2 and 3D periodic nano-micro scale composites with either dielectric or impedance contrast or both, and these can serve for example, as photonic and or phononic crystals for electromagnetic and elastic waves as well as mechanical frames/trusses. Compared to electromagnetic waves, elastic waves are both less complex (longitudinal modes in fluids) and more complex (longitudinal, transverse in-plane and transverse out-of-plane modes in solids). Engineering of the dispersion relation between wave frequency w and wave vector, k enables the opening of band gaps in the density of modes and detailed shaping of w(k). Band gaps can be opened by Bragg scattering, anti-crossing of bands and discrete shape resonances. Current interest is in our group focuses using design - modeling, fabrication and measurement of polymer-based periodic materials for applications as tunable optics and control of phonon flow. Several examples will be described including the design of structures for multispectral band gaps for elastic waves to alter the phonon density of states, the creation of block polymer and bicontinuous metal-carbon nanoframes for structures that are robust against ballistic projectiles and quasi-crystalline solid/fluid structures that can steer shock waves.

  20. National Center for Manufacturing Sciences: Environmentally conscious manufacturing

    NASA Technical Reports Server (NTRS)

    Vinton, Clare

    1995-01-01

    The purpose of this presentation is to share the results and some of the thinking of the Environmentally Conscious Manufacturing - Strategic Initiative Group (ECM-SIG) at the National Center for Manufacturing Sciences (NCMS). NCMS is a consortium of more than 185 North American Manufacturing organizations comprised of about 75 percent for profit manufacturing companies and about 25 percent nonprofit organizations that support manufacturing activities. NCMS conducts collaborative R&D programs designed to improve global competitiveness of its members and other North American manufacturers to address common issues that are important to manufacturing industries. NCMS is an industry driven organization whose agenda is established by industry with input from appropriate government agencies.