Investigation of the Self-Healing Behaviors of Microcapsules/Bitumen Composites by a Repetitive Direct Tension Test

PubMed Central

Su, Jun-Feng; Yang, Peng; Wang, Ying-Yuan; Han, Shan; Han, Ning-Xu; Li, Wei

2016-01-01

The aim of this work was to evaluate the self-healing behaviors of bitumen using microcapsules containing rejuvenator by a modified fracture healing–refracture method through a repetitive tension test. Microcapsules had mean size values of 10, 20 and 30 μm with a same core/shell ratio of 1/1. Various microcapsules/bitumen samples were fabricated with microcapsule contents of 1.0, 3.0 and 5.0 wt. %, respectively. Tension strength values of microcapsules/bitumen samples were measured by a reparative fracture-healing process under different temperatures. It was found that these samples had tensile strength values larger than the data of pure bitumen samples under the same conditions after the four tensile fracture-healing cycles. Fracture morphology investigation and mechanism analysis indicated that the self-healing process was a process consisting of microcapsules being broken, penetrated and diffused. Moreover, the crack healing of bitumen can be considered as a viscosity driven process. The self-healing ability partly repaired the damage of bitumen during service life by comparing the properties of virgin and rejuvenated bitumen. PMID:28773722

Self-Diffusion of small Ag and Ni islands on Ag(111) and Ni(111) using the self-learning kinetic Monte Carlo method

NASA Astrophysics Data System (ADS)

Islamuddin Shah, Syed; Nandipati, Giridhar; Kara, Abdelkader; Rahman, Talat S.

2012-02-01

We have applied a modified Self-Learning Kinetic Monte Carlo (SLKMC) method [1] to examine the self-diffusion of small Ag and Ni islands, containing up to 10 atom, on the (111) surface of the respective metal. The pattern recognition scheme in this new SLKMC method allows occupancy of the fcc, hcp and top sites on the fcc(111) surface and employs them to identify the local neighborhood around a central atom. Molecular static calculations with semi empirical interatomic potential and reliable techniques for saddle point search revealed several new diffusion mechanisms that contribute to the diffusion of small islands. For comparison we have also evaluated the diffusion characteristics of Cu clusters on Cu(111) and compared results with previous findings [2]. Our results show a linear increase in effective energy barriers scaling almost as 0.043, 0.051 and 0.064 eV/atom for the Cu/Cu(111), Ag/Ag(111), and Ni/Ni(111) systems, respectively. For all three systems, diffusion of small islands proceeds mainly through concerted motion, although several multiple and single atom processes also contribute. [1] Oleg Trushin et al. Phys. Rev. B 72, 115401 (2005) [2] Altaf Karim et al. Phys. Rev. B 73, 165411 (2006)

Quantification of the Service Life Extension and Environmental Benefit of Chloride Exposed Self-Healing Concrete.

PubMed

Van Belleghem, Bjorn; Van den Heede, Philip; Van Tittelboom, Kim; De Belie, Nele

2016-12-23

Formation of cracks impairs the durability of concrete elements. Corrosion inducing substances, such as chlorides, can enter the matrix through these cracks and cause steel reinforcement corrosion and concrete degradation. Self-repair of concrete cracks is an innovative technique which has been studied extensively during the past decade and which may help to increase the sustainability of concrete. However, the experiments conducted until now did not allow for an assessment of the service life extension possible with self-healing concrete in comparison with traditional (cracked) concrete. In this research, a service life prediction of self-healing concrete was done based on input from chloride diffusion tests. Self-healing of cracks with encapsulated polyurethane precursor formed a partial barrier against immediate ingress of chlorides through the cracks. Application of self-healing concrete was able to reduce the chloride concentration in a cracked zone by 75% or more. As a result, service life of steel reinforced self-healing concrete slabs in marine environments could amount to 60-94 years as opposed to only seven years for ordinary (cracked) concrete. Subsequent life cycle assessment calculations indicated important environmental benefits (56%-75%) for the ten CML-IA (Center of Environmental Science of Leiden University-Impact Assessment) baseline impact indicators which are mainly induced by the achievable service life extension.

Diffusion in confinement: kinetic simulations of self- and collective diffusion behavior of adsorbed gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abouelnasr, MKF; Smit, B

2012-01-01

The self- and collective-diffusion behaviors of adsorbed methane, helium, and isobutane in zeolite frameworks LTA, MFI, AFI, and SAS were examined at various concentrations using a range of molecular simulation techniques including Molecular Dynamics (MD), Monte Carlo (MC), Bennett-Chandler (BC), and kinetic Monte Carlo (kMC). This paper has three main results. (1) A novel model for the process of adsorbate movement between two large cages was created, allowing the formulation of a mixing rule for the re-crossing coefficient between two cages of unequal loading. The predictions from this mixing rule were found to agree quantitatively with explicit simulations. (2) Amore » new approach to the dynamically corrected Transition State Theory method to analytically calculate self-diffusion properties was developed, explicitly accounting for nanoscale fluctuations in concentration. This approach was demonstrated to quantitatively agree with previous methods, but is uniquely suited to be adapted to a kMC simulation that can simulate the collective-diffusion behavior. (3) While at low and moderate loadings the self- and collective-diffusion behaviors in LTA are observed to coincide, at higher concentrations they diverge. A change in the adsorbate packing scheme was shown to cause this divergence, a trait which is replicated in a kMC simulation that explicitly models this behavior. These phenomena were further investigated for isobutane in zeolite MFI, where MD results showed a separation in self- and collective-diffusion behavior that was reproduced with kMC simulations.« less

Diffusion in confinement: kinetic simulations of self- and collective diffusion behavior of adsorbed gases.

PubMed

Abouelnasr, Mahmoud K F; Smit, Berend

2012-09-07

The self- and collective-diffusion behaviors of adsorbed methane, helium, and isobutane in zeolite frameworks LTA, MFI, AFI, and SAS were examined at various concentrations using a range of molecular simulation techniques including Molecular Dynamics (MD), Monte Carlo (MC), Bennett-Chandler (BC), and kinetic Monte Carlo (kMC). This paper has three main results. (1) A novel model for the process of adsorbate movement between two large cages was created, allowing the formulation of a mixing rule for the re-crossing coefficient between two cages of unequal loading. The predictions from this mixing rule were found to agree quantitatively with explicit simulations. (2) A new approach to the dynamically corrected Transition State Theory method to analytically calculate self-diffusion properties was developed, explicitly accounting for nanoscale fluctuations in concentration. This approach was demonstrated to quantitatively agree with previous methods, but is uniquely suited to be adapted to a kMC simulation that can simulate the collective-diffusion behavior. (3) While at low and moderate loadings the self- and collective-diffusion behaviors in LTA are observed to coincide, at higher concentrations they diverge. A change in the adsorbate packing scheme was shown to cause this divergence, a trait which is replicated in a kMC simulation that explicitly models this behavior. These phenomena were further investigated for isobutane in zeolite MFI, where MD results showed a separation in self- and collective- diffusion behavior that was reproduced with kMC simulations.

Healable thermoset polymer composite embedded with stimuli-responsive fibres

PubMed Central

Li, Guoqiang; Meng, Harper; Hu, Jinlian

2012-01-01

Severe wounds in biological systems such as human skin cannot heal themselves, unless they are first stitched together. Healing of macroscopic damage in thermoset polymer composites faces a similar challenge. Stimuli-responsive shape-changing polymeric fibres with outstanding mechanical properties embedded in polymers may be able to close macro-cracks automatically upon stimulation such as heating. Here, a stimuli-responsive fibre (SRF) with outstanding mechanical properties and supercontraction capability was fabricated for the purpose of healing macroscopic damage. The SRFs and thermoplastic particles (TPs) were incorporated into regular thermosetting epoxy for repeatedly healing macroscopic damages. The system works by mimicking self-healing of biological systems such as human skin, close (stitch) then heal, i.e. close the macroscopic crack through the thermal-induced supercontraction of the SRFs, and bond the closed crack through melting and diffusing of TPs at the crack interface. The healing efficiency determined using tapered double-cantilever beam specimens was 94 per cent. The self-healing process was reasonably repeatable. PMID:22896563

Self-organization at the frictional interface for green tribology.

PubMed

Nosonovsky, Michael

2010-10-28

Despite the fact that self-organization during friction has received relatively little attention from tribologists so far, it has the potential for the creation of self-healing and self-lubricating materials, which are important for green or environment-friendly tribology. The principles of the thermodynamics of irreversible processes and of the nonlinear theory of dynamical systems are used to investigate the formation of spatial and temporal structures during friction. The transition to the self-organized state with low friction and wear occurs through destabilization of steady-state (stationary) sliding. The criterion for destabilization is formulated and several examples are discussed: the formation of a protective film, microtopography evolution and slip waves. The pattern formation may involve self-organized criticality and reaction-diffusion systems. A special self-healing mechanism may be embedded into the material by coupling the corresponding required forces. The analysis provides the structure-property relationship, which can be applied for the design optimization of composite self-lubricating and self-healing materials for various ecologically friendly applications and green tribology.

Quantification of the Service Life Extension and Environmental Benefit of Chloride Exposed Self-Healing Concrete

PubMed Central

Van Belleghem, Bjorn; Van den Heede, Philip; Van Tittelboom, Kim; De Belie, Nele

2016-01-01

Formation of cracks impairs the durability of concrete elements. Corrosion inducing substances, such as chlorides, can enter the matrix through these cracks and cause steel reinforcement corrosion and concrete degradation. Self-repair of concrete cracks is an innovative technique which has been studied extensively during the past decade and which may help to increase the sustainability of concrete. However, the experiments conducted until now did not allow for an assessment of the service life extension possible with self-healing concrete in comparison with traditional (cracked) concrete. In this research, a service life prediction of self-healing concrete was done based on input from chloride diffusion tests. Self-healing of cracks with encapsulated polyurethane precursor formed a partial barrier against immediate ingress of chlorides through the cracks. Application of self-healing concrete was able to reduce the chloride concentration in a cracked zone by 75% or more. As a result, service life of steel reinforced self-healing concrete slabs in marine environments could amount to 60–94 years as opposed to only seven years for ordinary (cracked) concrete. Subsequent life cycle assessment calculations indicated important environmental benefits (56%–75%) for the ten CML-IA (Center of Environmental Science of Leiden University–Impact Assessment) baseline impact indicators which are mainly induced by the achievable service life extension. PMID:28772363

Modified free volume theory of self-diffusion and molecular theory of shear viscosity of liquid carbon dioxide.

PubMed

Nasrabad, Afshin Eskandari; Laghaei, Rozita; Eu, Byung Chan

2005-04-28

In previous work on the density fluctuation theory of transport coefficients of liquids, it was necessary to use empirical self-diffusion coefficients to calculate the transport coefficients (e.g., shear viscosity of carbon dioxide). In this work, the necessity of empirical input of the self-diffusion coefficients in the calculation of shear viscosity is removed, and the theory is thus made a self-contained molecular theory of transport coefficients of liquids, albeit it contains an empirical parameter in the subcritical regime. The required self-diffusion coefficients of liquid carbon dioxide are calculated by using the modified free volume theory for which the generic van der Waals equation of state and Monte Carlo simulations are combined to accurately compute the mean free volume by means of statistical mechanics. They have been computed as a function of density along four different isotherms and isobars. A Lennard-Jones site-site interaction potential was used to model the molecular carbon dioxide interaction. The density and temperature dependence of the theoretical self-diffusion coefficients are shown to be in excellent agreement with experimental data when the minimum critical free volume is identified with the molecular volume. The self-diffusion coefficients thus computed are then used to compute the density and temperature dependence of the shear viscosity of liquid carbon dioxide by employing the density fluctuation theory formula for shear viscosity as reported in an earlier paper (J. Chem. Phys. 2000, 112, 7118). The theoretical shear viscosity is shown to be robust and yields excellent density and temperature dependence for carbon dioxide. The pair correlation function appearing in the theory has been computed by Monte Carlo simulations.

Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganesh, P.; Kim, Jeongnim; Park, Changwon

2014-11-03

In highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Moreover, the highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based onmore » point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. Our results demonstrate that the lithium carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.« less

Self-learning kinetic Monte Carlo simulations of Al diffusion in Mg

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Govind, Niranjan; Andersen, Amity

2016-03-16

Atomistic on-lattice self-learning kinetic Monte Carlo (SLKMC) method was used to examine the vacancy-mediated diffusion of an Al atom in pure hcp Mg. Local atomic environment dependent activation barriers for vacancy-atom exchange processes were calculated on-the-fly using climbing image nudged-elastic band method (CI-NEB) and using a Mg-Al binary modified embedded-atom method (MEAM) interatomic potential. Diffusivities of vacancy and Al atom in pure Mg were obtained from SLKMC simulations and are compared with values available in the literature that are obtained from experiments and first-principle calculations. Al Diffusivities obtained from SLKMC simulations are lower, due to larger activation barriers and lowermore » diffusivity prefactors, than those available in the literature but have same order of magnitude. We present all vacancy-Mg and vacancy-Al atom exchange processes and their activation barriers that were identified in SLKMC simulations. We will describe a simple mapping scheme to map a hcp lattice on to a simple cubic lattice that would enable hcp lattices to be simulated in an on-lattice KMC framework. We also present the pattern recognition scheme used in SLKMC simulations.« less

Self-Learning Off-Lattice Kinetic Monte Carlo method as applied to growth on metal surfaces

NASA Astrophysics Data System (ADS)

Trushin, Oleg; Kara, Abdelkader; Rahman, Talat

2007-03-01

We propose a new development in the Self-Learning Kinetic Monte Carlo (SLKMC) method with the goal of improving the accuracy with which atomic mechanisms controlling diffusive processes on metal surfaces may be identified. This is important for diffusion of small clusters (2 - 20 atoms) in which atoms may occupy Off-Lattice positions. Such a procedure is also necessary for consideration of heteroepitaxial growth. The new technique combines an earlier version of SLKMC [1] with the inclusion of off-lattice occupancy. This allows us to include arbitrary positions of adatoms in the modeling and makes the simulations more realistic and reliable. We have tested this new approach for the case of the diffusion of small 2D Cu clusters diffusion on Cu(111) and found good performance and satisfactory agreement with results obtained from previous version of SLKMC. The new method also helped reveal a novel atomic mechanism contributing to cluster migration. We have also applied this method to study the diffusion of Cu clusters on Ag(111), and find that Cu atoms generally prefer to occupy off-lattice sites. [1] O. Trushin, A. Kara, A. Karim, T.S. Rahman Phys. Rev B 2005

Assessment of solvent capsule-based healing for woven E-glass fibre-reinforced polymers

NASA Astrophysics Data System (ADS)

Manfredi, Erica; Cohades, Amaël; Richard, Inès; Michaud, Véronique

2015-01-01

Vacuum Assisted Resin Infusion Molding (VARIM) with low vacuum pressure difference was used to manufacture woven glass fibre-reinforced epoxy resin plates, with a fibre volume fraction of approx. 50 vol% and containing ethyl phenylacetate (EPA)-filled capsules for self-healing purposes. Capsules were introduced by functionalising the fabrics through manual dispersion. We investigated the capability of autonomously healing delaminations induced by static loading in Mode I and II. Healing did not take place for composite samples; this was attributed to the presence of bare fibres on the crack plane and to the reduction of EPA diffusion into the matrix in the presence of fibres both of which hinder the swelling mechanism responsible for healing the cracks.

Self-heating–induced healing of lithium dendrites

NASA Astrophysics Data System (ADS)

Li, Lu; Basu, Swastik; Wang, Yiping; Chen, Zhizhong; Hundekar, Prateek; Wang, Baiwei; Shi, Jian; Shi, Yunfeng; Narayanan, Shankar; Koratkar, Nikhil

2018-03-01

Lithium (Li) metal electrodes are not deployable in rechargeable batteries because electrochemical plating and stripping invariably leads to growth of dendrites that reduce coulombic efficiency and eventually short the battery. It is generally accepted that the dendrite problem is exacerbated at high current densities. Here, we report a regime for dendrite evolution in which the reverse is true. In our experiments, we found that when the plating and stripping current density is raised above ~9 milliamperes per square centimeter, there is substantial self-heating of the dendrites, which triggers extensive surface migration of Li. This surface diffusion heals the dendrites and smoothens the Li metal surface. We show that repeated doses of high-current-density healing treatment enables the safe cycling of Li-sulfur batteries with high coulombic efficiency.

Teaching the Growth, Ripening, and Agglomeration of Nanostructures in Computer Experiments

ERIC Educational Resources Information Center

Meyburg, Jan Philipp; Diesing, Detlef

2017-01-01

This article describes the implementation and application of a metal deposition and surface diffusion Monte Carlo simulation in a physical chemistry lab course. Here the self-diffusion of Ag atoms on a Ag(111) surface is modeled and compared to published experimental results. Both the thin-film homoepitaxial growth during adatom deposition onto a…

Controlling diffusion for a self-healing radiation tolerant nanostructured ferritic alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Michael K.; Parish, Chad M.; Bei, Hongbin

Diffusion plays a major role in the stability of microstructures to extreme conditions of high temperature and high doses of irradiation. In nanostructured ferritic alloys, first principle calculations indicate that the binding energy of vacancies is reduced by the presence of oxygen, titanium and yttrium atoms. Therefore, the number of free vacancies available for diffusion can be greatly reduced. The mechanical properties of these alloys, compared to traditional wrought alloys of similar composition and grain structure, is distinctly different, and the ultrafine grained alloy is distinguished by a high number density of Ti–Y–O-enriched nanoclusters and solute clusters, which drives themore » mechanical response. When a displacement cascade interacts with a nanocluster, the solute atoms are locally dispersed into the matrix by ballistic collisions, but immediately a new nanocluster reforms due to the local supersaturation of solutes and vacancies until the excess vacancies are consumed. Furthermore, the result of these processes is a structural material for advanced energy systems with a microstructure that is self-healing and tolerant to high doses of radiation and high temperatures.« less

Controlling diffusion for a self-healing radiation tolerant nanostructured ferritic alloy

DOE PAGES

Miller, Michael K.; Parish, Chad M.; Bei, Hongbin

2014-12-18

Diffusion plays a major role in the stability of microstructures to extreme conditions of high temperature and high doses of irradiation. In nanostructured ferritic alloys, first principle calculations indicate that the binding energy of vacancies is reduced by the presence of oxygen, titanium and yttrium atoms. Therefore, the number of free vacancies available for diffusion can be greatly reduced. The mechanical properties of these alloys, compared to traditional wrought alloys of similar composition and grain structure, is distinctly different, and the ultrafine grained alloy is distinguished by a high number density of Ti–Y–O-enriched nanoclusters and solute clusters, which drives themore » mechanical response. When a displacement cascade interacts with a nanocluster, the solute atoms are locally dispersed into the matrix by ballistic collisions, but immediately a new nanocluster reforms due to the local supersaturation of solutes and vacancies until the excess vacancies are consumed. Furthermore, the result of these processes is a structural material for advanced energy systems with a microstructure that is self-healing and tolerant to high doses of radiation and high temperatures.« less

Controlling diffusion for a self-healing radiation tolerant nanostructured ferritic alloy

NASA Astrophysics Data System (ADS)

Miller, M. K.; Parish, C. M.; Bei, H.

2015-07-01

Diffusion plays a major role in the stability of microstructures to extreme conditions of high temperature and high doses of irradiation. In nanostructured ferritic alloys, first principle calculations indicate that the binding energy of vacancies is reduced by the presence of oxygen, titanium and yttrium atoms. Therefore, the number of free vacancies available for diffusion can be greatly reduced. The mechanical properties of these alloys, compared to traditional wrought alloys of similar composition and grain structure, is distinctly different, and the ultrafine grained alloy is distinguished by a high number density of Ti-Y-O-enriched nanoclusters and solute clusters, which drives the mechanical response. When a displacement cascade interacts with a nanocluster, the solute atoms are locally dispersed into the matrix by ballistic collisions, but immediately a new nanocluster reforms due to the local supersaturation of solutes and vacancies until the excess vacancies are consumed. The result of these processes is a structural material for advanced energy systems with a microstructure that is self-healing and tolerant to high doses of radiation and high temperatures.

Imaging energy landscapes with concentrated diffusing colloidal probes

NASA Astrophysics Data System (ADS)

Bahukudumbi, Pradipkumar; Bevan, Michael A.

2007-06-01

The ability to locally interrogate interactions between particles and energetically patterned surfaces provides essential information to design, control, and optimize template directed self-assembly processes. Although numerous techniques are capable of characterizing local physicochemical surface properties, no current method resolves interactions between colloids and patterned surfaces on the order of the thermal energy kT, which is the inherent energy scale of equilibrium self-assembly processes. Here, the authors describe video microscopy measurements and an inverse Monte Carlo analysis of diffusing colloidal probes as a means to image three dimensional free energy and potential energy landscapes due to physically patterned surfaces. In addition, they also develop a consistent analysis of self-diffusion in inhomogeneous fluids of concentrated diffusing probes on energy landscapes, which is important to the temporal imaging process and to self-assembly kinetics. Extension of the concepts developed in this work suggests a general strategy to image multidimensional and multiscale physical, chemical, and biological surfaces using a variety of diffusing probes (i.e., molecules, macromolecules, nanoparticles, and colloids).

Static and fatigue tensile properties of cross-ply laminates containing vascules for self-healing applications

NASA Astrophysics Data System (ADS)

Luterbacher, R.; Trask, R. S.; Bond, I. P.

2016-01-01

The effect of including hollow channels (vascules) within cross-ply laminates on static tensile properties and fatigue performance is investigated. No change in mechanical properties or damage formation is observed when a single vascule is included in the 0/90 interface, representing 0.5% of the cross sectional area within the specimen. During tensile loading, matrix cracks develop in the 90° layers leading to a reduction of stiffness and strength (defined as the loss of linearity) and a healing agent is injected through the vascules in order to heal them and mitigate the caused degradation. Two different healing agents, a commercial low viscosity epoxy resin (RT151, Resintech) and a toughened epoxy blend (bespoke, in-house formulation) have been used to successfully recover stiffness under static loading conditions. The RT151 system recovered 75% of the initial failure strength, whereas the toughened epoxy blend achieved a recovery of 67%. Under fatigue conditions, post healing, a rapid decay of stiffness was observed as the healed damage re-opened within the first 2500 cycles. This was caused by the high fatigue loading intensity, which was near the static failure strength of the healing resin. However, the potential for ameliorating (via self-healing or autonomous repair) more diffuse transverse matrix damage via a vascular network has been shown.

Clustering and heterogeneous dynamics in a kinetic Monte Carlo model of self-propelled hard disks

NASA Astrophysics Data System (ADS)

Levis, Demian; Berthier, Ludovic

2014-06-01

We introduce a kinetic Monte Carlo model for self-propelled hard disks to capture with minimal ingredients the interplay between thermal fluctuations, excluded volume, and self-propulsion in large assemblies of active particles. We analyze in detail the resulting (density, self-propulsion) nonequilibrium phase diagram over a broad range of parameters. We find that purely repulsive hard disks spontaneously aggregate into fractal clusters as self-propulsion is increased and rationalize the evolution of the average cluster size by developing a kinetic model of reversible aggregation. As density is increased, the nonequilibrium clusters percolate to form a ramified structure reminiscent of a physical gel. We show that the addition of a finite amount of noise is needed to trigger a nonequilibrium phase separation, showing that demixing in active Brownian particles results from a delicate balance between noise, interparticle interactions, and self-propulsion. We show that self-propulsion has a profound influence on the dynamics of the active fluid. We find that the diffusion constant has a nonmonotonic behavior as self-propulsion is increased at finite density and that activity produces strong deviations from Fickian diffusion that persist over large time scales and length scales, suggesting that systems of active particles generically behave as dynamically heterogeneous systems.

CuAAC-Based Click Chemistry in Self-Healing Polymers.

PubMed

Döhler, Diana; Michael, Philipp; Binder, Wolfgang H

2017-10-17

Click chemistry has emerged as a significant tool for materials science, organic chemistry, and bioscience. Based on the initial concept of Barry Sharpless in 2001, the copper(I)-catalyzed azide/alkyne cycloaddition (CuAAC) reaction has triggered a plethora of chemical concepts for linking molecules and building blocks under ambient conditions, forming the basis for applications in autonomous cross-linking materials. Self-healing systems on the other hand are often based on mild cross-linking chemistries that are able to react either autonomously or upon an external trigger. In the ideal case, self-healing takes place efficiently at low temperatures, independent of the substrate(s) used, by forming strong and stable networks, binding to the newly generated (cracked) interfaces to restore the original material properties. The use of the CuAAC in self-healing systems, most of all the careful design of copper-based catalysts linked to additives as well as the chemical diversity of substrates, has led to an enormous potential of applications of this singular reaction. The implementation of click-based strategies in self-healing systems therefore is highly attractive, as here chemical (and physical) concepts of molecular reactivity, molecular design, and even metal catalysis are connected to aspects of materials science. In this Account, we will show how CuAAC reactions of multivalent components can be used as a tool for self-healing materials, achieving cross-linking at low temperatures (exploiting concepts of autocatalysis or internal chelation within the bulk CuAAC and systematic optimization of the efficiency of the used Cu(I) catalysts). Encapsulation strategies to separate the click components by micro- and nanoencapsulation are required in this context. Consequently, the examples reported here describe chemical concepts to realize more efficient and faster click reactions in self-healing polymeric materials. Thus, enhanced chain diffusion in (hyper)branched polymers, autocatalysis, or internal chelation concepts enable efficient click cross-linking already at 5 °C with a simultaneously reduced amount of Cu(I) catalyst and increased reaction rates, culminating in the first reported self-healing system based on click cycloaddition reactions. Via tailor-made nanocarbon/Cu(I) catalysts we can further improve the click cross-linking reaction in view of efficiency and kinetics, leading to the generation of self-healing graphene-based epoxy nanocomposites. Additionally, we have designed special CuAAC click methods for chemical reporting and visualization systems based on the detection of ruptured capsules via a fluorogenic click reaction, which can be combined with CuAAC cross-linking reactions to obtain simultaneous stress detection and self-healing within polymeric materials. In a similar concept, we have prepared polymeric Cu(I)-biscarbene complexes to detect (mechanical) stress within self-healing polymeric materials via a triggered fluorogenic reaction, thus using a destructive force for a constructive chemical response.

Silicone Oil Swelling Slippery Surfaces Based on Mussel-Inspired Magnetic Nanoparticles with Multiple Self-Healing Mechanisms.

PubMed

Jin, Biyu; Liu, Mingzhu; Zhang, Qinghua; Zhan, Xiaoli; Chen, Fengqiu

2017-10-03

In this work, a novel substrate building block, magnetic Fe 3 O 4 nanoparticles armed with dopamine molecules were developed via mussel-inspired metal-coordination bonds. Combined with glycidyl methacrylate, polydimethylsiloxane propyl ether methacrylate, and diethylenetriamine, the original silicone oil swelling slippery liquid-infused porous surfaces (SLIPS) were first prepared by reversible coordinate bonds and strong covalent bonds cross-linking process. The matrix mechanical characteristics and surface physicochemical properties were systematically investigated. Results showed that the mechanical property of copolymer matrix and surface wettability of SLIPS can be remarkably recovered, which were due to the synergistic interactions of magnetic nanoparticles' intrinsic photothermal effect, reversible Fe-catechol coordination, and diffused lubricating liquid. After irradiating with sunlamp for 2 h and sequentially healing for 10 h under ambient conditions, the crack almost disappeared under optical microscopy with 78.25% healing efficiency (HEf) of toughness, and surface slippery was completely retrieved to water droplets. The efficient self-heal of copolymer matrix (66.5% HEf after eighth cutting-healing cycle) and recovering of slipperiness (SA < 5° and 5° < SA < 17° after fourth and eighth cutting-centrifuging-healing cycles, respectively) would extend longevity of SLIPS when subjected to multiple damages. Moreover, the prepared SLIPS displayed superb self-cleaning and liquid-repellent properties to a wide range of particulate contaminants and fluids.

The self-healing of defects induced by the hydriding phase transformation in palladium nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulvestad, A.; Yau, A.

Nanosizing can dramatically alter material properties by enhancing surface thermodynamic contributions, shortening diffusion lengths, and increasing the number of catalytically active sites per unit volume. These mechanisms have been used to explain the improved properties of catalysts, battery materials, plasmonic materials, etc. Here we show that Pd nanoparticles also have the ability to self-heal defects in their crystal structures. Using Bragg coherent diffractive imaging, we image dislocations nucleated deep in a Pd nanoparticle during the forward hydriding phase transformation that heal during the reverse transformation, despite the region surrounding the dislocations remaining in the hydrogen-poor phase. We show that defectivemore » Pd nanoparticles exhibit sloped isotherms, indicating that defects act as additional barriers to the phase transformation. Our results resolve the formation and healing of structural defects during phase transformations at the single nanoparticle level and offer an additional perspective as to how and why nanoparticles differ from their bulk counterparts.« less

Effect of Hydrodynamic Interactions on Self-Diffusion of Quasi-Two-Dimensional Colloidal Hard Spheres.

PubMed

Thorneywork, Alice L; Rozas, Roberto E; Dullens, Roel P A; Horbach, Jürgen

2015-12-31

We compare experimental results from a quasi-two-dimensional colloidal hard sphere fluid to a Monte Carlo simulation of hard disks with small particle displacements. The experimental short-time self-diffusion coefficient D(S) scaled by the diffusion coefficient at infinite dilution, D(0), strongly depends on the area fraction, pointing to significant hydrodynamic interactions at short times in the experiment, which are absent in the simulation. In contrast, the area fraction dependence of the experimental long-time self-diffusion coefficient D(L)/D(0) is in quantitative agreement with D(L)/D(0) obtained from the simulation. This indicates that the reduction in the particle mobility at short times due to hydrodynamic interactions does not lead to a proportional reduction in the long-time self-diffusion coefficient. Furthermore, the quantitative agreement between experiment and simulation at long times indicates that hydrodynamic interactions effectively do not affect the dependence of D(L)/D(0) on the area fraction. In light of this, we discuss the link between structure and long-time self-diffusion in terms of a configurational excess entropy and do not find a simple exponential relation between these quantities for all fluid area fractions.

Surface-structure dependence of healing radiation-damage mechanism in nanoporous tungsten

NASA Astrophysics Data System (ADS)

Duan, Guohua; Li, Xiangyan; Sun, Jingjing; Hao, Congyu; Xu, Yichun; Zhang, Yange; Liu, Wei; Liu, C. S.

2018-01-01

Under nuclear fusion environments, displacement damage in tungsten (W) is usually caused by neutrons irradiation through producing large quantities of vacancies (Vs) and self-interstitial atoms (SIAs). These defects not only affect the mechanical properties of W, but also act as the trap sites for implanted hydrogen isotopes and helium. Nano-porous (NP) W with a high fraction of free surfaces has been developed to mitigate the radiation damage. However, the mechanism of the surface reducing defects accumulation is not well understood. By using multi-scale simulation methods, we investigated the interaction of the SIA and V with different surfaces on across length and time scales. We found that, at a typical operation temperature of 1000 K, surface (1 1 0) preferentially heals radiation damage of W compared with surface (1 0 0) and boundary (3 1 0). On surface (1 1 0), the diffusion barrier for the SIA is only 0.68 eV. The annihilation of the SIA-V happens via the coupled motion of the V segregation towards the surface from the bulk and the two-dimensional diffusion of the SIA on the surface. Such mechanism makes the surface (1 1 0) owe better healing capability. On surface (1 0 0), the diffusion energy barrier for the SIA is 2.48 eV, higher than the diffusion energy barrier of the V in bulk. The annihilation of the SIA-V occurs via the V segregation and recombination. The SIA was found to migrate one-dimensionally along a boundary (3 1 0) with a barrier of 0.21 eV, leading to a lower healing efficiency in the boundary. This study suggested that the on-surface process plays an important role in healing radiation damage of NP W in addition to surface-enhanced diffusion and annihilation near the surface. A certain surface structure renders nano-structured W more radiation-tolerant.

Healing of polymer interfaces: Interfacial dynamics, entanglements, and strength

NASA Astrophysics Data System (ADS)

Ge, Ting; Robbins, Mark O.; Perahia, Dvora; Grest, Gary S.

2014-07-01

Self-healing of polymer films often takes place as the molecules diffuse across a damaged region, above their melting temperature. Using molecular dynamics simulations we probe the healing of polymer films and compare the results with those obtained for thermal welding of homopolymer slabs. These two processes differ from each other in their interfacial structure since damage leads to increased polydispersity and more short chains. A polymer sample was cut into two separate films that were then held together in the melt state. The recovery of the damaged film was followed as time elapsed and polymer molecules diffused across the interface. The mass uptake and formation of entanglements, as obtained from primitive path analysis, are extracted and correlated with the interfacial strength obtained from shear simulations. We find that the diffusion across the interface is significantly faster in the damaged film compared to welding because of the presence of short chains. Though interfacial entanglements increase more rapidly for the damaged films, a large fraction of these entanglements are near chain ends. As a result, the interfacial strength of the healing film increases more slowly than for welding. For both healing and welding, the interfacial strength saturates as the bulk entanglement density is recovered across the interface. However, the saturation strength of the damaged film is below the bulk strength for the polymer sample. At saturation, cut chains remain near the healing interface. They are less entangled and as a result they mechanically weaken the interface. Chain stiffness increases the density of entanglements, which increases the strength of the interface. Our results show that a few entanglements across the interface are sufficient to resist interfacial chain pullout and enhance the mechanical strength.

Magma fracturing and degassing associated with obsidian formation: The explosive–effusive transition

USGS Publications Warehouse

Cabrera, Agustin; Weinberg, Roberto; Wright, Heather M.

2015-01-01

This paper explores the role of melt fracturing in degassing rhyolitic volcanic systems. The Monte Pilato-Rocche Rosse eruptions in Italy evolved from explosive to effusive in style, and H2O content in quenched glasses changed over time from relatively H2O-rich (~ 0.90 wt.%) to H2O-poor dense obsidian (~ 0.10–0.20 wt.%). In addition, healed fractures have been recorded in all different eruptive materials, from the glass of early-erupted tube pumice and rinds of breadcrusted obsidian pyroclasts, to the glass of late-erupted dense obsidian pyroclasts, and throughout the final effusive Rocche Rosse lava flow. These rocks show multiple fault sets, some with crenulated fault planes indicating resumption of viscous flow after faulting, complex obsidian breccias with evidence for post-brecciation folding and stretching, and centimetre- to metre-thick tuffisite preserved in pyroclasts and lava, representing collapsed foam due to fracturing of vesicle walls. These microstructural observations indicate that multiple fracturing and healing events occurred during both explosive and effusive eruptions. H2O content in glass decreases by as much as 0.14 wt.% towards healed fractures/faults and decreases in stretched obsidian breccias towards regions of intense brecciation. A drop in pressure and/or increase in temperature along fractures caused diffusive H2O migration through melt towards fracture surfaces. Repetitive and pervasive fracturing and healing thereby create conditions for diffusive H2O loss into fractures and subsequent escape through permeable paths. This type of progressive magma degassing provides a potential mechanism to explain the formation of dense obsidian and the evolution from explosive to effusive eruption style.

The Harrison Diffusion Kinetics Regimes in Solute Grain Boundary Diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belova, Irina; Fiedler, T; Kulkarni, Nagraj S

2012-01-01

Knowledge of the limits of the principal Harrison kinetics regimes (Type-A, B and C) for grain boundary diffusion is very important for the correct analysis of the depth profiles in a tracer diffusion experiment. These regimes for self-diffusion have been extensively studied in the past by making use of the phenomenological Lattice Monte Carlo (LMC) method with the result that the limits are now well established. The relationship of those self-diffusion limits to the corresponding ones for solute diffusion in the presence of solute segregation to the grain boundaries remains unclear. In the present study, the influence of solute segregationmore » on the limits is investigated with the LMC method for the well-known parallel grain boundary slab model by showing the equivalence of two diffusion models. It is shown which diffusion parameters are useful for identifying the limits of the Harrison kinetics regimes for solute grain boundary diffusion. It is also shown how the measured segregation factor from the diffusion experiment in the Harrison Type-B kinetics regime may differ from the global segregation factor.« less

A novel Kinetic Monte Carlo algorithm for Non-Equilibrium Simulations

NASA Astrophysics Data System (ADS)

Jha, Prateek; Kuzovkov, Vladimir; Grzybowski, Bartosz; Olvera de La Cruz, Monica

2012-02-01

We have developed an off-lattice kinetic Monte Carlo simulation scheme for reaction-diffusion problems in soft matter systems. The definition of transition probabilities in the Monte Carlo scheme are taken identical to the transition rates in a renormalized master equation of the diffusion process and match that of the Glauber dynamics of Ising model. Our scheme provides several advantages over the Brownian dynamics technique for non-equilibrium simulations. Since particle displacements are accepted/rejected in a Monte Carlo fashion as opposed to moving particles following a stochastic equation of motion, nonphysical movements (e.g., violation of a hard core assumption) are not possible (these moves have zero acceptance). Further, the absence of a stochastic ``noise'' term resolves the computational difficulties associated with generating statistically independent trajectories with definitive mean properties. Finally, since the timestep is independent of the magnitude of the interaction forces, much longer time-steps can be employed than Brownian dynamics. We discuss the applications of this scheme for dynamic self-assembly of photo-switchable nanoparticles and dynamical problems in polymeric systems.

Diffusion Monte Carlo approach versus adiabatic computation for local Hamiltonians

NASA Astrophysics Data System (ADS)

Bringewatt, Jacob; Dorland, William; Jordan, Stephen P.; Mink, Alan

2018-02-01

Most research regarding quantum adiabatic optimization has focused on stoquastic Hamiltonians, whose ground states can be expressed with only real non-negative amplitudes and thus for whom destructive interference is not manifest. This raises the question of whether classical Monte Carlo algorithms can efficiently simulate quantum adiabatic optimization with stoquastic Hamiltonians. Recent results have given counterexamples in which path-integral and diffusion Monte Carlo fail to do so. However, most adiabatic optimization algorithms, such as for solving MAX-k -SAT problems, use k -local Hamiltonians, whereas our previous counterexample for diffusion Monte Carlo involved n -body interactions. Here we present a 6-local counterexample which demonstrates that even for these local Hamiltonians there are cases where diffusion Monte Carlo cannot efficiently simulate quantum adiabatic optimization. Furthermore, we perform empirical testing of diffusion Monte Carlo on a standard well-studied class of permutation-symmetric tunneling problems and similarly find large advantages for quantum optimization over diffusion Monte Carlo.

Polyfibroblast: A Self-Healing and Galvanic Protection Additive

DTIC Science & Technology

2013-06-25

polyurea shell. The degradation was so slow over the course of one month that it was easier to monitor IPD1 degradation instead. We found first order...dependence of water diffusion through the shell. Note that the polyurea shell in this case contains silica inclusions. -13.6 -14.0 -14.4 -14.8 -15.2

Self-healing atmospheric plasma sprayed Mn1.0Co1.9Fe0.1O4 protective interconnector coatings for solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Grünwald, Nikolas; Sebold, Doris; Sohn, Yoo Jung; Menzler, Norbert Heribert; Vaßen, Robert

2017-09-01

Dense coatings on metallic interconnectors are necessary to suppress chromium poisoning of SOFC cathodes. Atmospherically plasma sprayed (APS) Mn1.0Co1.9Fe0.1O4 (MCF) protective layers demonstrated reduced chromium related degradation in laboratory and stack tests. Previous analyses revealed strong microstructural changes comparing the coating's as-sprayed and operated condition. This work concentrates on the layer-densification and crack-healing observed by annealing APS-MCF in air, which simulates the cathode operation conditions. The effect is described by a volume expansion induced by a phase transformation. Reducing conditions during the spray process lead to a deposition of the MCF in a metastable rock salt configuration. Annealing in air activates diffusion processes for a phase transformation to the low temperature stable spinel phase (T < 1050 °C). This transformation is connected to an oxygen incorporation which occurs at regions facing high oxygen partial pressures, as there are the sample surface, cracks and pore surfaces. Calculations reveal a volume expansion induced by the oxygen uptake which seals the cracks and densifies the coating. The process decelerates when the cracks are closed, as the gas route is blocked and further oxidation continues over solid state diffusion. The self-healing abilities of metastable APS coatings could be interesting for other applications.

Anger Can Help: A Transactional Model and Three Pathways of the Experience and Expression of Anger.

PubMed

Butler, Mark H; Meloy-Miller, Kierea C; Seedall, Ryan B; Dicus, J Logan

2017-07-23

Anger is a significant human emotion with far-reaching implications for individuals and relationships. We propose a transactional model of anger that highlights its relational relevance and potentially positive function, in addition to problematic malformations. By evolutionary design, physical, self-concept, or attachment threats all similarly trigger diffuse physiological arousal, psychologically experienced as anger-emotion. Anger is first a signaling and motivational system. Anger is then formed to affirming, productive use or malformed to destructive ends. A functional, prosocial approach to anger organizes it for protective and corrective personal and relational adaptation. In our model, threat perception interacts with a person's view of self in relation to other to produce helpful or harmful anger. Inflated or collapsed views of self in relation to other produce distinct manifestations of destructive anger that are harmful to self, other, and relationship. Conversely, a balanced view of self in relation to other promotes constructive anger and catalyzes self, other, and relationship healing. Clinical use of the model to shape healing personal and relational contact with anger is explored. © 2017 Family Process Institute.

Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties

NASA Astrophysics Data System (ADS)

Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C.

2014-11-01

We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013), 10.1103/PhysRevLett.111.110601]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self- and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self- and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1 /L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting.

Determination of the diffusion coefficient of hydrogen ion in hydrogels.

PubMed

Schuszter, Gábor; Gehér-Herczegh, Tünde; Szűcs, Árpád; Tóth, Ágota; Horváth, Dezső

2017-05-17

The role of diffusion in chemical pattern formation has been widely studied due to the great diversity of patterns emerging in reaction-diffusion systems, particularly in H + -autocatalytic reactions where hydrogels are applied to avoid convection. A custom-made conductometric cell is designed to measure the effective diffusion coefficient of a pair of strong electrolytes containing sodium ions or hydrogen ions with a common anion. This together with the individual diffusion coefficient for sodium ions, obtained from PFGSE-NMR spectroscopy, allows the determination of the diffusion coefficient of hydrogen ions in hydrogels. Numerical calculations are also performed to study the behavior of a diffusion-migration model describing ionic diffusion in our system. The method we present for one particular case may be extended for various hydrogels and diffusing ions (such as hydroxide) which are relevant e.g. for the development of pH-regulated self-healing mechanisms and hydrogels used for drug delivery.

Understanding and improving lithium ion batteries through mathematical modeling and experiments

NASA Astrophysics Data System (ADS)

Deshpande, Rutooj D.

There is an intense, worldwide effort to develop durable lithium ion batteries with high energy and power densities for a wide range of applications, including electric and hybrid electric vehicles. For improvement of battery technology understanding the capacity fading mechanism in batteries is of utmost importance. Novel electrode material and improved electrode designs are needed for high energy- high power batteries with less capacity fading. Furthermore, for applications such as automotive applications, precise cycle-life prediction of batteries is necessary. One of the critical challenges in advancing lithium ion battery technologies is fracture and decrepitation of the electrodes as a result of lithium diffusion during charging and discharging operations. When lithium is inserted in either the positive or negative electrode, there is a volume change associated with insertion or de-insertion. Diffusion-induced stresses (DISs) can therefore cause the nucleation and growth of cracks, leading to mechanical degradation of the batteries. With different mathematical models we studied the behavior of diffusion induces stresses and effects of electrode shape, size, concentration dependent material properties, pre-existing cracks, phase transformations, operating conditions etc. on the diffusion induced stresses. Thus we develop tools to guide the design of the electrode material with better mechanical stability for durable batteries. Along with mechanical degradation, chemical degradation of batteries also plays an important role in deciding battery cycle life. The instability of commonly employed electrolytes results in solid electrolyte interphase (SEI) formation. Although SEI formation contributes to irreversible capacity loss, the SEI layer is necessary, as it passivates the electrode-electrolyte interface from further solvent decomposition. SEI layer and diffusion induced stresses are inter-dependent and affect each-other. We study coupled chemical-mechanical degradation of electrode materials to understand the capacity fading of the battery with cycling. With the understanding of chemical and mechanical degradation, we develop a simple phenomenological model to predict battery life. On the experimental part we come up with a novel concept of using liquid metal alloy as a self-healing battery electrode. We develop a method to prepare thin film liquid gallium electrode on a conductive substrate. This enabled us to perform a series of electrochemical and characterization experiments which certify that liquid electrode undergo liquid-solid-liquid transition and thus self-heals the cracks formed during de-insertion. Thus the mechanical degradation can be avoided. We also perform ab-initio calculations to understand the equilibrium potential of various lithium-gallium phases. KEYWORDS: Lithium ion batteries, diffusion induced stresses, self-healing electrode, coupled chemical and mechanical degradation, life-prediction model.

Direct simulation Monte Carlo investigation of the Richtmyer-Meshkov instability

DOE PAGES

Gallis, Michail A.; Koehler, Timothy P.; Torczynski, John R.; ...

2015-08-14

The Rayleigh-Taylor instability (RTI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce all qualitative features of the RTI and are in reasonable quantitative agreement with existing theoretical and empirical models in the linear, nonlinear, and self-similar regimes. At late times, the instability is seen to exhibit a self-similar behavior, in agreement with experimental observations. Formore » the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Healing of polymer interfaces: Interfacial dynamics, entanglements, and strength

DOE PAGES

Ge, Ting; Robbins, Mark O.; Perahia, Dvora; ...

2014-07-25

Self-healing of polymer films often takes place as the molecules diffuse across a damaged region, above their melting temperature. Using molecular dynamics simulations we probe the healing of polymer films and compare the results with those obtained for thermal welding of homopolymer slabs. These two processes differ from each other in their interfacial structure since damage leads to increased polydispersity and more short chains. A polymer sample was cut into two separate films that were then held together in the melt state. The recovery of the damaged film was followed as time elapsed and polymer molecules diffused across the interface.more » The mass uptake and formation of entanglements, as obtained from primitive path analysis, are extracted and correlated with the interfacial strength obtained from shear simulations. We find that the diffusion across the interface is signifcantly faster in the damaged film compared to welding because of the presence of short chains. Though interfacial entanglements increase more rapidly for the damaged films, a large fraction of these entanglements are near chain ends. As a result, the interfacial strength of the healing film increases more slowly than for welding. For both healing and welding, the interfacial strength saturates as the bulk entanglement density is recovered across the interface. However, the saturation strength of the damaged film is below the bulk strength for the polymer sample. At saturation, cut chains remain near the healing interface. They are less entangled and as a result they mechanically weaken the interface. When the strength of the interface saturates, the number of interfacial entanglements scales with the corresponding bulk entanglement density. Chain stiffness increases the density of entanglements, which increases the strength of the interface. Our results show that a few entanglements across the interface are sufficient to resist interfacial chain pullout and enhance the mechanical strength.« less

Self diffusion of interacting membrane proteins.

PubMed Central

Abney, J R; Scalettar, B A; Owicki, J C

1989-01-01

A two-dimensional version of the generalized Smoluchowski equation is used to analyze the time (or distance) dependent self diffusion of interacting membrane proteins in concentrated membrane systems. This equation provides a well established starting point for descriptions of the diffusion of particles that interact through both direct and hydrodynamic forces; in this initial work only the effects of direct interactions are explicitly considered. Data describing diffusion in the presence of hard-core repulsions, soft repulsions, and soft repulsions with weak attractions are presented. The effect that interactions have on the self-diffusion coefficient of a real protein molecule from mouse liver gap junctions is also calculated. The results indicate that self diffusion is always inhibited by direct interactions; this observation is interpreted in terms of the caging that will exist at finite protein concentration. It is also noted that, over small distance scales, the diffusion coefficient is determined entirely by the very strong Brownian forces; therefore, as a function of displacement the self-diffusion coefficient decays (rapidly) from its value at infinite dilution to its steady-state interaction-averaged value. The steady-state self-diffusion coefficient describes motion over distance scales that range from approximately 10 nm to cellular dimensions and is the quantity measured in fluorescence recovery after photobleaching experiments. The short-ranged behavior of the diffusion coefficient is important on the interparticle-distance scale and may therefore influence the rate at which nearest-neighbor collisional processes take place. The hard-disk theoretical results presented here are in excellent agreement with lattice Monte-Carlo results obtained by other workers. The concentration dependence of experimentally measured diffusion coefficients of antibody-hapten complexes bound to the membrane surface is consistent with that predicted by the theory. The variation in experimental diffusion coefficients of integral membrane proteins is greater than that predicted by the theory, and may also reflect protein-induced perturbations in membrane viscosity. PMID:2720077

Counselling against HIV in Africa: a genealogy of confessional technologies.

PubMed

Nguyen, Vinh-Kim

2013-01-01

This paper contextualises counselling within a broader historical formation that links disclosure to healing and deploys confessional technologies to incite disclosure and awareness of the mysterious substance of the self. Foucault's argument that sexuality was the privileged arena for using confessional technologies to 'produce' the truth of the self is particularly relevant in light of the diffusion of counselling practices in Africa in the wake of the HIV epidemic, particularly with their emphasis on inciting appropriate sexual behaviour. Examination of the historical assemblage of counselling practices shows how they articulate what the self is, the nature of truth and a politics of language. This paper focuses on the genealogy of four key assumptions that express this confessional reason. These are that: (1) people can be 'empowered' to have control on their own lives by working on themselves, (2) secrets untold become pathogens, (3) the ability to heal requires that one first overcome personal illness, (4) the experience of sharing secrets is cathartic and healing. The genealogy intertwines four strands: that of the Unconscious as revealed by Freud and his followers, attempts to treat shell-shocked veterans of World War I, group psychotherapy and participatory research after World War II.

Self-healing of polymeric materials: The effect of the amount of DCPD confined within microcapsules

NASA Astrophysics Data System (ADS)

Chipara, Dorina M.; Perez, Alma; Lozano, Karen; Elamin, Ibrahim; Villarreal, Jahaziel; Salinas, Alfonso; Chipara, Mircea

2013-03-01

The self-healing SH) of polymers is based on the dispersion of a catalyst and of microcapsules filled with monomer within the polymeric matrix. Sufficiently large external stresses will rupture the microcapsule, releasing the monomer which will diffuse through the polymer and eventually will reach a catalyst particle igniting a polymerization reaction. The classical SH system includes first generation Grubbs catalyst and poly-urea formaldehyde microcapsules filled with DCPD. The polymerization reaction is a ring-opening metathesis. The size and the mechanical features of microcapsules are critical in controlling the SH process. Research was focused on the effect of DCPD on the size and thickness of microcapsules. Microscopy was used to determine the size of microcapsules (typically in the range of 10-4 m) and the thickness of the microcapsules (ranging between 10-6 to 10-8 m). Research revealed a thick disordered layer over a thin and more compact wall. Raman spectroscopy confirmed the confinement of DCPD, TGA measurements aimed to a better understanding of the degradation processes in inert atmosphere, and mechanical tests supported the ignition of self-healing properties. This research has been supported by National Science Foundation under DMR (PREM) grant 0934157.

Kinetics of self-interstitial migration in bcc and fcc transition metals

NASA Astrophysics Data System (ADS)

Bukkuru, S.; Bhardwaj, U.; Srinivasa Rao, K.; Rao, A. D. P.; Warrier, M.; Valsakumar, M. C.

2018-03-01

Radiation damage is a multi-scale phenomenon. A thorough understanding of diffusivities and the migration energies of defects is a pre-requisite to quantify the after-effects of irradiation. We investigate the thermally activated mobility of self-interstitial atom (SIA) in bcc transition metals Fe, Mo, Nb and fcc transition metals Ag, Cu, Ni, Pt using molecular dynamics (MD) simulations. The self-interstitial diffusion involves various mechanisms such as interstitialcy, dumbbell or crowdion mechanisms. Max-Space Clustering (MSC) method has been employed to identify the interstitial and its configuration over a wide range of temperature. The self-interstitial diffusion is Arrhenius like, however, there is a slight deviation at high temperatures. The migration energies, pre-exponential factors of diffusion and jump-correlation factors, obtained from these simulations can be used as inputs to Monte Carlo simulations of defect transport. The jump-correlation factor shows the degree of preference of rectilinear or rotational jumps. We obtain the average jump-correlation factor of 1.4 for bcc metals and 0.44 for fcc metals. It indicates that rectilinear jumps are preferred in bcc metals and rotational jumps are preferred in fcc metals.

Diffuse reflectance imaging for non-melanoma skin cancer detection using laser feedback interferometry

NASA Astrophysics Data System (ADS)

Mowla, Alireza; Taimre, Thomas; Lim, Yah L.; Bertling, Karl; Wilson, Stephen J.; Prow, Tarl W.; Soyer, H. P.; Rakić, Aleksandar D.

2016-04-01

We propose a compact, self-aligned, low-cost, and versatile infrared diffuse-reflectance laser imaging system using a laser feedback interferometry technique with possible applications in in vivo biological tissue imaging and skin cancer detection. We examine the proposed technique experimentally using a three-layer agar skin phantom. A cylindrical region with a scattering rate lower than that of the surrounding normal tissue was used as a model for a non-melanoma skin tumour. The same structure was implemented in a Monte Carlo computational model. The experimental results agree well with the Monte Carlo simulations validating the theoretical basis of the technique. Results prove the applicability of the proposed technique for biological tissue imaging, with the capability of depth sectioning and a penetration depth of well over 1.2 mm into the skin phantom.

Dynamics of associating networks

NASA Astrophysics Data System (ADS)

Tang, Shengchang; Habicht, Axel; Wang, Muzhou; Li, Shuaili; Seiffert, Sebastian; Olsen, Bradley

Associating polymers offer important technological solutions to renewable and self-healing materials, conducting electrolytes for energy storage and transport, and vehicles for cell and protein deliveries. The interplay between polymer topologies and association chemistries warrants new interesting physics from associating networks, yet poses significant challenges to study these systems over a wide range of time and length scales. In a series of studies, we explored self-diffusion mechanisms of associating polymers above the percolation threshold, by combining experimental measurements using forced Rayleigh scattering and analytical insights from a two-state model. Despite the differences in molecular structures, a universal super-diffusion phenomenon is observed when diffusion of molecular species is hindered by dissociation kinetics. The molecular dissociation rate can be used to renormalize shear rheology data, which yields an unprecedented time-temperature-concentration superposition. The obtained shear rheology master curves provide experimental evidence of the relaxation hierarchy in associating networks.

Whiskers growth and self-healing in Ti-based metallic glasses during ion irradiation

NASA Astrophysics Data System (ADS)

Zhang, Kun; Hu, Zheng; Zhao, Ziqiang; Wei, Bingchen; Li, Yansen; Wei, Yuhang

2018-04-01

Ti-based metallic glasses were subjected to a 20 MeV Cl4+ ion radiation under liquid-nitrogen cooling. Their responses, as well as effects of the electronic excitation and nucleus-nucleus collision were evaluated. The collision cascade during irradiation typically changes the structure by increasing the liquid-like zone/cluster, or the content of the free volume. However, along the ion incident depth, the structure change is inhomogeneous. Numerous whiskers appear and aggregate on the side of the irradiation surface, which are several micrometers away from the edge. This corresponds with the maximum collision depth obtained by the Monte Carlo simulation, where nuclear loss plays a dominant role. Moreover, the liquid-like zone continually forms, which add to the whiskers growth and subsequent self-healing. Results suggest that the irradiation-induced local shear stress combines with the well-localized liquid-like zone results in the observed phenomena. This study demonstrates that metallic glasses have high morphological instability under ion irradiation, which assets can pave new paths for their further applications.

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters themore » self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

DOE PAGES

Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.; ...

2016-08-31

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters themore » self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Diffusion-driven self-assembly of rodlike particles: Monte Carlo simulation on a square lattice

NASA Astrophysics Data System (ADS)

Lebovka, Nikolai I.; Tarasevich, Yuri Yu.; Gigiberiya, Volodymyr A.; Vygornitskii, Nikolai V.

2017-05-01

The diffusion-driven self-assembly of rodlike particles was studied by means of Monte Carlo simulation. The rods were represented as linear k -mers (i.e., particles occupying k adjacent sites). In the initial state, they were deposited onto a two-dimensional square lattice of size L ×L up to the jamming concentration using a random sequential adsorption algorithm. The size of the lattice, L , was varied from 128 to 2048, and periodic boundary conditions were applied along both x and y axes, while the length of the k -mers (determining the aspect ratio) was varied from 2 to 12. The k -mers oriented along the x and y directions (kx-mers and ky-mers, respectively) were deposited equiprobably. In the course of the simulation, the numbers of intraspecific and interspecific contacts between the same sort and between different sorts of k -mers, respectively, were calculated. Both the shift ratio of the actual number of shifts along the longitudinal or transverse axes of the k -mers and the electrical conductivity of the system were also examined. For the initial random configuration, quite different self-organization behavior was observed for short and long k -mers. For long k -mers (k ≥6 ), three main stages of diffusion-driven spatial segregation (self-assembly) were identified: the initial stage, reflecting destruction of the jamming state; the intermediate stage, reflecting continuous cluster coarsening and labyrinth pattern formation; and the final stage, reflecting the formation of diagonal stripe domains. Additional examination of two artificially constructed initial configurations showed that this pattern of diagonal stripe domains is an attractor, i.e., any spatial distribution of k -mers tends to transform into diagonal stripes. Nevertheless, the time for relaxation to the steady state essentially increases as the lattice size growth.

Perfluoropolyether-Impregnated Mesoporous Alumina Composites Overcome the Dewetting-Tribological Properties Trade-Off.

PubMed

Rowthu, Sriharitha; Hoffmann, Patrik

2018-03-28

Conventional omniphobic surfaces suffer from wear-sensitivity due to soft apolar coatings or substrates and protruding surface features that are eroded even for mild abrasion treatments, leading to the loss of dewetting properties after wear. Evidently, there was a trade-off between dewetting and tribological properties. Here, we show the establishment of self-healing slippery properties post severe abrasion by utilizing perfluoropolyether-impregnated mesoporous Al 2 O 3 (MPA) composites. The hard polar alumina matrix provides the optimal tribological properties, and the liquid lubricant in the porous network contributes to both tribological and self-healing dewetting properties. These composites sustained normal pressures up to 350 MPa during reciprocating sliding contacts. The severely abraded surfaces are capable of self-replenishing in ambient environment, driven by capillarity and surface diffusion processes, and regained their slippery properties toward water and hexadecane after 15 h of self-healing. Eventually, a dewetting-tribology diagram has been introduced to show different regimes, namely-optimal slippery properties, optimal tribological properties, and a mixed regime). We found out that the microstructural expression [Formula: see text] is a robust guiding tool to predict the regime of interest. This dewetting-tribological diagram may be marked as an inception to designing abrasion-resistant slippery liquid impregnated composites for overcoming the dewetting tribological properties trade-off. Such surfaces may potentially find applications in paint industries and as anti-icing surfaces.

Recent Advancements in Self-Healing Metallic Materials and Self-Healing Metal Matrix Composites

NASA Astrophysics Data System (ADS)

Kilicli, Volkan; Yan, Xiaojun; Salowitz, Nathan; Rohatgi, Pradeep K.

2018-04-01

Engineered self-healing materials inspired by natural biological organisms that can repair damage are receiving increasing interest in recent years. Most studies have been focused on self-healing polymers, concretes, and ceramics. Self-healing metallic materials pose challenges due to the high temperatures used in manufacturing and the chemistries involved. This article summarizes and evaluates the self-healing mechanisms used in metallic materials and reviews recent studies into self-healing in aluminum, zinc, and Sn-Bi alloys. Generalizations about the various classifications are drawn from the review highlighting major hurdles in the widespread practical application of metallic self-healing materials, as well as the potential directions for future studies.

Recent Advancements in Self-Healing Metallic Materials and Self-Healing Metal Matrix Composites

NASA Astrophysics Data System (ADS)

Kilicli, Volkan; Yan, Xiaojun; Salowitz, Nathan; Rohatgi, Pradeep K.

2018-06-01

Engineered self-healing materials inspired by natural biological organisms that can repair damage are receiving increasing interest in recent years. Most studies have been focused on self-healing polymers, concretes, and ceramics. Self-healing metallic materials pose challenges due to the high temperatures used in manufacturing and the chemistries involved. This article summarizes and evaluates the self-healing mechanisms used in metallic materials and reviews recent studies into self-healing in aluminum, zinc, and Sn-Bi alloys. Generalizations about the various classifications are drawn from the review highlighting major hurdles in the widespread practical application of metallic self-healing materials, as well as the potential directions for future studies.

Steady-State Electrodiffusion from the Nernst-Planck Equation Coupled to Local Equilibrium Monte Carlo Simulations.

PubMed

Boda, Dezső; Gillespie, Dirk

2012-03-13

We propose a procedure to compute the steady-state transport of charged particles based on the Nernst-Planck (NP) equation of electrodiffusion. To close the NP equation and to establish a relation between the concentration and electrochemical potential profiles, we introduce the Local Equilibrium Monte Carlo (LEMC) method. In this method, Grand Canonical Monte Carlo simulations are performed using the electrochemical potential specified for the distinct volume elements. An iteration procedure that self-consistently solves the NP and flux continuity equations with LEMC is shown to converge quickly. This NP+LEMC technique can be used in systems with diffusion of charged or uncharged particles in complex three-dimensional geometries, including systems with low concentrations and small applied voltages that are difficult for other particle simulation techniques.

Using hybrid implicit Monte Carlo diffusion to simulate gray radiation hydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cleveland, Mathew A., E-mail: cleveland7@llnl.gov; Gentile, Nick

This work describes how to couple a hybrid Implicit Monte Carlo Diffusion (HIMCD) method with a Lagrangian hydrodynamics code to evaluate the coupled radiation hydrodynamics equations. This HIMCD method dynamically applies Implicit Monte Carlo Diffusion (IMD) [1] to regions of a problem that are opaque and diffusive while applying standard Implicit Monte Carlo (IMC) [2] to regions where the diffusion approximation is invalid. We show that this method significantly improves the computational efficiency as compared to a standard IMC/Hydrodynamics solver, when optically thick diffusive material is present, while maintaining accuracy. Two test cases are used to demonstrate the accuracy andmore » performance of HIMCD as compared to IMC and IMD. The first is the Lowrie semi-analytic diffusive shock [3]. The second is a simple test case where the source radiation streams through optically thin material and heats a thick diffusive region of material causing it to rapidly expand. We found that HIMCD proves to be accurate, robust, and computationally efficient for these test problems.« less

Self-healing cable for extreme environments

NASA Technical Reports Server (NTRS)

Huston, Dryver R. (Inventor); Tolmie, Bernard R. (Inventor)

2009-01-01

Self-healing cable apparatus and methods disclosed. The self-healing cable has a central core surrounded by an adaptive cover that can extend over the entire length of the self-healing cable or just one or more portions of the self-healing cable. The adaptive cover includes an axially and/or radially compressible-expandable (C/E) foam layer that maintains its properties over a wide range of environmental conditions. A tape layer surrounds the C/E layer and is applied so that it surrounds and axially and/or radially compresses the C/E layer. When the self-healing cable is subjected to a damaging force that causes a breach in the outer jacket and the tape layer, the corresponding localized axially and/or radially compressed portion of the C/E foam layer expands into the breach to form a corresponding localized self-healed region. The self-healing cable is manufacturable with present-day commercial self-healing cable manufacturing tools.

Methyl methacrylate as a healing agent for self-healing cementitious materials

NASA Astrophysics Data System (ADS)

Van Tittelboom, K.; Adesanya, K.; Dubruel, P.; Van Puyvelde, P.; De Belie, N.

2011-12-01

Different types of healing agents have already been tested on their efficiency for use in self-healing cementitious materials. Generally, commercial healing agents are used while their properties are adjusted for manual crack repair and not for autonomous crack healing. Consequently, the amount of regain in properties due to self-healing of cracks is limited. In this research, a methyl methacrylate (MMA)-based healing agent was developed specifically for use in self-healing cementitious materials. Various parameters were optimized including the viscosity, curing time, strength, etc. After the desired properties were obtained, the healing agent was encapsulated and screened for its self-healing efficiency. The decrease in water permeability due to autonomous crack healing using MMA as a healing agent was similar to the results obtained for manually healed cracks. First results seem promising: however, further research needs to be undertaken in order to obtain an optimal healing agent ready for use in practice.

Autonomic self-healing in epoxidized natural rubber.

PubMed

Rahman, Arifur; Sartore, Luciana; Bignotti, Fabio; Di Landro, Luca

2013-02-01

The development of polymers that can repair damage autonomously would be useful to improve the lifetime of polymeric materials. To date, limited attention has been dedicated to developing elastomers with autonomic self-healing ability, which can recover damages without need for an external or internal source of healing agents. This work investigates the self-healing behavior of epoxidized natural rubber (ENR) with two different epoxidation levels (25 and 50 mol % epoxidation) and of the corresponding unfunctionalized rubber, cis-1,4-polyisoprene (PISP). A self-adhesion assisted self-healing behavior was revealed by T-peel tests on slightly vulcanized rubbers. A higher epoxidation level was found to enhance self-healing. Self-healing of rubbers following ballistic damages was also investigated. A pressurized air flow test setup was used to evaluate the self-healing of ballistic damages in rubbers. Microscope (OM, SEM, and TEM) analyses were carried out to provide further evidence of healing in the impact zones. Self-healing of ballistic damages was observed only in ENR with 50 mol % epoxidation and it was found to be influenced significantly by the cross-link density. Finally, self-healing of ballistic damages was also observed in ENR50/PISP blends only when the content of the healing component (i.e., ENR50) was at least 25 wt %. From an analysis of the results, it was concluded that a synergistic effect between interdiffusion and interaction among polar groups leads to self-healing in ENR.

Effects of water-aging on self-healing dental composite containing microcapsules.

PubMed

Wu, Junling; Weir, Michael D; Melo, Mary Anne S; Strassler, Howard E; Xu, Hockin H K

2016-04-01

The objectives of this study were to develop a self-healing dental composite containing poly(urea-formaldehyde) (PUF) shells with triethylene glycol dimethacrylate (TEGDMA) and N,N-dihydroxyethyl-p-toluidine (DHEPT) as healing liquid, and to investigate the mechanical properties of the composite and its self-healing efficacy after water-aging for 6 months. PUF microspheres were synthesized encapsulating a TEGDMA-DHEPT healing liquid. Composite containing 30% of a resin matrix and 70% of glass fillers by mass was incorporated with 0%, 2.5%, 5%, 7.5% and 10% of microcapsules. A flexural test was used to measure flexural strength and elastic modulus. A single edge V-notched beam method was used to measure fracture toughness (KIC) and self-healing efficacy. Specimens were water-aged at 37 °C for 1 day to 6 months and then tested for self-healing. Fractured specimens were healed while being immersed in water to examine self-healing efficacy, in comparison with that in air. Incorporation of up to 7.5% of microcapsules into the resin composite achieved effective self-healing, without adverse effects on the virgin mechanical properties of the composite (p>0.1). An excellent self-healing efficacy of 64-77% recovery was obtained (mean±sd; n=6). Six months of water-aging did not decrease the self-healing efficacy compared to 1 day (p>0.1). Exposure to water did not decrease the healing efficacy, compared to that healed in air (p>0.1). A composite was developed with excellent self-healing efficacy even while being immersed in water. The self-healing efficacy did not decrease with increasing water-aging time for 6 months. The novel self-healing composite may be promising for dental applications to heal cracks, resist fracture, and increase the durability and longevity. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effects of water-aging on self-healing dental composite containing microcapsules

PubMed Central

Wu, Junling; Weir, Michael D.; Melo, Mary Anne S.; Strassler, Howard E.; Xu, Hockin H. K.

2016-01-01

Objectives The objectives of this study were to develop a self-healing dental composite containing poly(urea-formaldehyde) (PUF) shells with triethylene glycol dimethacrylate (TEGDMA) and N,N-dihydroxyethyl-p-toluidine (DHEPT) as healing liquid, and to investigate the mechanical properties of the composite and its self-healing efficacy after water-aging for 6 months. Methods PUF microspheres were synthesized encapsulating a TEGDMA-DHEPT healing liquid. Composite containing 30% of a resin matrix and 70% of glass fillers by mass was incorporated with 0%, 2.5%, 5%, 7.5% and 10% of microcapsules. A flexural test was used to measure flexural strength and elastic modulus. A single edge V-notched beam method was used to measure fracture toughness (KIC) and self-healing efficacy. Specimens were water-aged at 37 °C for 1 d to 6 months and then tested for self-healing. Fractured specimens were healed while being immersed in water to examine self-healing efficacy, in comparison with that in air. Results Incorporation of up to 7.5% of microcapsules into the resin composite achieved effective self-healing, without adverse effects on the virgin mechanical properties of the composite (p > 0.1). An excellent self-healing efficacy of 64%–77% recovery was obtained (mean ± sd; n = 6). Six months of water-aging did not decrease the self-healing efficacy compared to 1 d (p > 0.1). Exposure to water did not decrease the healing efficacy, compared to that healed in air (p > 0.1). Conclusions A composite was developed with excellent self-healing efficacy even while being immersed in water. The self-healing efficacy did not decrease with increasing water-aging time for 6 months. Clinical significance The novel self-healing composite may be promising for dental applications to heal cracks, resist fracture, and increase the durability and longevity. PMID:26808158

A comprehensive review on self-healing of asphalt materials: Mechanism, model, characterization and enhancement.

PubMed

Sun, Daquan; Sun, Guoqiang; Zhu, Xingyi; Guarin, Alvaro; Li, Bin; Dai, Ziwei; Ling, Jianming

2018-06-01

Self-healing has great potential to extend the service life of asphalt pavement, and this capability has been regarded as an important strategy when designing a sustainable infrastructure. This review presents a comprehensive summary of the state-of-the-art investigations concerning the self-healing mechanism, model, characterization and enhancement, ranging from asphalt to asphalt pavement. Firstly, the self-healing phenomenon as a general concept in asphalt materials is analyzed including its definition and the differences among self-healing and some viscoelastic responses. Additionally, the development of self-healing in asphalt pavement design is introduced. Next, four kinds of possible self-healing mechanism and corresponding models are presented. It is pointed out that the continuum thermodynamic model, considering the whole process from damage initiation to healing recovery, can be a promising study field. Further, a set of self-healing multiscale characterization methods from microscale to macroscale as well as computational simulation scale, are summed up. Thereinto, the computational simulation shows great potential in simulating the self-healing behavior of asphalt materials from mechanical and molecular level. Moreover, the factors influencing self-healing capability are discussed, but the action mechanisms of some factors remain unclear and need to be investigated. Finally, two extrinsic self-healing technologies, induction heating and capsule healing, are recommended as preventive maintenance applications in asphalt pavement. In future, more effective energy-based healing systems or novel material-based healing systems are expected to be developed towards designing sustainable long-life asphalt pavement. Copyright © 2018 Elsevier B.V. All rights reserved.

OBJECT KINETIC MONTE CARLO SIMULATIONS OF RADIATION DAMAGE IN BULK TUNGSTEN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2015-09-22

We used our recently developed lattice based OKMC code; KSOME [1] to carryout simulations of radiation damage in bulk W. We study the effect of dimensionality of self interstitial atom (SIA) diffusion i.e. 1D versus 3D on the defect accumulation during irradiation with a primary knock-on atom (PKA) energy of 100 keV at 300 K for the dose rates of 10-5 and 10-6 dpa/s. As expected 3D SIA diffusion significantly reduces damage accumulation due to increased probability of recombination events. In addition, dose rate, over the limited range examined here, appears to have no effect in both cases of SIAmore » diffusion.« less

Molecular model for the diffusion of associating telechelic polymer networks

NASA Astrophysics Data System (ADS)

Ramirez, Jorge; Dursch, Thomas; Olsen, Bradley

Understanding the mechanisms of motion and stress relaxation of associating polymers at the molecular level is critical for advanced technological applications such as enhanced oil-recovery, self-healing materials or drug delivery. In associating polymers, the strength and rates of association/dissociation of the reversible physical crosslinks govern the dynamics of the network and therefore all the macroscopic properties, like self-diffusion and rheology. Recently, by means of forced Rayleigh scattering experiments, we have proved that associating polymers of different architectures show super-diffusive behavior when the free motion of single molecular species is slowed down by association/dissociation kinetics. Here we discuss a new molecular picture for unentangled associating telechelic polymers that considers concentration, molecular weight, number of arms of the molecules and equilibrium and rate constants of association/dissociation. The model predicts super-diffusive behavior under the right combination of values of the parameters. We discuss some of the predictions of the model using scaling arguments, show detailed results from Brownian dynamics simulations of the FRS experiments, and attempt to compare the predictions of the model to experimental data.

Self-healing Characteristics of Collagen Coatings with Respect to Surface Abrasion

PubMed Central

Kim, Chang-Lae; Kim, Dae-Eun

2016-01-01

A coating based on collagen with self-healing properties was developed for applications in mechanical components that are prone to abrasion due to contact with a counter surface. The inherent swelling behavior of collagen in water was exploited as the fundamental mechanism behind self-healing of a wear scar formed on the surface. The effects of freeze-drying process and water treatment of the collagen coatings on their mechanical and self-healing properties were analyzed. Water was also used as the medium to trigger the self-healing effect of the collagen coatings after the wear test. It was found that collagen coatings without freeze-drying did not demonstrate any self-healing effect whereas the coatings treated by freeze-drying process showed remarkable self-healing effect. Overall, collagen coatings that were freeze-dried and water treated showed the best friction and self-healing properties. Repeated self-healing ability of these coatings with respect to wear scar was also demonstrated. It was also confirmed that the self-healing property of the collagen coating was effective over a relatively wide range of temperature. PMID:27010967

Self-healing Characteristics of Collagen Coatings with Respect to Surface Abrasion

NASA Astrophysics Data System (ADS)

Kim, Chang-Lae; Kim, Dae-Eun

2016-03-01

A coating based on collagen with self-healing properties was developed for applications in mechanical components that are prone to abrasion due to contact with a counter surface. The inherent swelling behavior of collagen in water was exploited as the fundamental mechanism behind self-healing of a wear scar formed on the surface. The effects of freeze-drying process and water treatment of the collagen coatings on their mechanical and self-healing properties were analyzed. Water was also used as the medium to trigger the self-healing effect of the collagen coatings after the wear test. It was found that collagen coatings without freeze-drying did not demonstrate any self-healing effect whereas the coatings treated by freeze-drying process showed remarkable self-healing effect. Overall, collagen coatings that were freeze-dried and water treated showed the best friction and self-healing properties. Repeated self-healing ability of these coatings with respect to wear scar was also demonstrated. It was also confirmed that the self-healing property of the collagen coating was effective over a relatively wide range of temperature.

Behavior of Aging, Micro-Void, and Self-Healing of Glass/Ceramic Materials and Its Effect on Mechanical Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Wenning N.; Sun, Xin; Khaleel, Mohammad A.

This chapter first describes tests to investigate the temporal evolution of the volume fraction of ceramic phases, the evolution of micro-damage, and the self-healing behavior of the glass ceramic sealant used in SOFCs, then a phenomenological model based on mechanical analogs is developed to describe the temperature dependent Young’s modulus of glass ceramic seal materials. It was found that after the initial sintering process, further crystallization of the glass ceramic sealant does not stop, but slows down and reduces the residual glass content while boosting the ceramic crystalline content. Under the long-term operating environment, distinct fibrous and needle-like crystals inmore » the amorphous phase disappeared, and smeared/diffused phase boundaries between the glass phase and ceramic phase were observed. Meanwhile, the micro-damage was induced by the cooling-down process from the operating temperature to the room temperature, which can potentially degrade the mechanical properties of the glass/ceramic sealant. The glass/ceramic sealant self-healed upon reheating to the SOFC operating temperature, which can restore the mechanical performance of the glass/ceramic sealant. The phenomenological model developed here includes the effects of continuing aging and devitrification on the ceramic phase volume fraction and the resulted mechanical properties of glass ceramic seal material are considered. The effects of micro-voids and self-healing are also considered using a continuum damage mechanics (CDM) model. The formulation is for glass/ceramic seal in general, and it can be further developed to account for effects of various processing parameters. This model was applied to G18, and the temperature-dependent experimental measurements were used to calibrate the modeling parameters and to validate the model prediction.« less

Review of research and developments in self healing composite materials

NASA Astrophysics Data System (ADS)

Reddy Madara, Sahith; Sarath Raj, N. S.; Pon Selvan, Chithirai, Dr.

2018-04-01

Self-healing materials are artificial or synthetically created substances that have the built-in ability to automatically repair damage to themselves without any external diagnosis of the problem or human intervention. This article presents the current research and developments in self-healing composite materials. A detailed study is conducted on various types of self-healing composites with their self-healing mechanisms. The applications of self-healing materials in various fields including space sector is also discussed. Economics and Future outlooks for self-healing smart materials is highlighted at the end of the article. This research article will be useful to manufacturers, policy makers and researchers widely.

Self-evolving atomistic kinetic Monte Carlo simulations of defects in materials

DOE PAGES

Xu, Haixuan; Beland, Laurent K.; Stoller, Roger E.; ...

2015-01-29

The recent development of on-the-fly atomistic kinetic Monte Carlo methods has led to an increased amount attention on the methods and their corresponding capabilities and applications. In this review, the framework and current status of Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) are discussed. SEAKMC particularly focuses on defect interaction and evolution with atomistic details without assuming potential defect migration/interaction mechanisms and energies. The strength and limitation of using an active volume, the key concept introduced in SEAKMC, are discussed. Potential criteria for characterizing an active volume are discussed and the influence of active volume size on saddle point energies ismore » illustrated. A procedure starting with a small active volume followed by larger active volumes was found to possess higher efficiency. Applications of SEAKMC, ranging from point defect diffusion, to complex interstitial cluster evolution, to helium interaction with tungsten surfaces, are summarized. A comparison of SEAKMC with molecular dynamics and conventional object kinetic Monte Carlo is demonstrated. Overall, SEAKMC is found to be complimentary to conventional molecular dynamics, especially when the harmonic approximation of transition state theory is accurate. However it is capable of reaching longer time scales than molecular dynamics and it can be used to systematically increase the accuracy of other methods such as object kinetic Monte Carlo. Furthermore, the challenges and potential development directions are also outlined.« less

Electron and ion acceleration in relativistic shocks with applications to GRB afterglows

NASA Astrophysics Data System (ADS)

Warren, Donald C.; Ellison, Donald C.; Bykov, Andrei M.; Lee, Shiu-Hang

2015-09-01

We have modelled the simultaneous first-order Fermi shock acceleration of protons, electrons, and helium nuclei by relativistic shocks. By parametrizing the particle diffusion, our steady-state Monte Carlo simulation allows us to follow particles from particle injection at non-relativistic thermal energies to above PeV energies, including the non-linear smoothing of the shock structure due to cosmic ray (CR) backpressure. We observe the mass-to-charge (A/Z) enhancement effect believed to occur in efficient Fermi acceleration in non-relativistic shocks and we parametrize the transfer of ion energy to electrons seen in particle-in-cell (PIC) simulations. For a given set of environmental and model parameters, the Monte Carlo simulation determines the absolute normalization of the particle distributions and the resulting synchrotron, inverse Compton, and pion-decay emission in a largely self-consistent manner. The simulation is flexible and can be readily used with a wide range of parameters typical of γ-ray burst (GRB) afterglows. We describe some preliminary results for photon emission from shocks of different Lorentz factors and outline how the Monte Carlo simulation can be generalized and coupled to hydrodynamic simulations of GRB blast waves. We assume Bohm diffusion for simplicity but emphasize that the non-linear effects we describe stem mainly from an extended shock precursor where higher energy particles diffuse further upstream. Quantitative differences will occur with different diffusion models, particularly for the maximum CR energy and photon emission, but these non-linear effects should be qualitatively similar as long as the scattering mean-free path is an increasing function of momentum.

Mechanophores for Self-Healing Applications

DTIC Science & Technology

2013-09-09

macroscopic failure. One of the first discovered mechanochemical reactions was the self - healing of vulcanized rubber . Damaging mechanical force...therefore have potential self - healing features. Using the serendipitous case of rubber as a model, mechanophores that produce reactive species under...Mechanophores for Self - Healing Applications Supramolecular polymers held together by hydrogen bonds make efficient self - healing systems. A rubber -like polymer

Low-Temperature Self-Healing of a Microcapsule-Type Protective Coating.

PubMed

Kim, Dong-Min; Cho, Yu-Jin; Choi, Ju-Young; Kim, Beom-Jun; Jin, Seung-Won; Chung, Chan-Moon

2017-09-14

Low-temperature self-healing capabilities are essential for self-healing materials exposed to cold environments. Although low-temperature self-healing concepts have been proposed, there has been no report of a microcapsule-type low-temperature self-healing system wherein the healing ability was demonstrated at low temperature. In this work, low-temperature self-healing of a microcapsule-type protective coating was demonstrated. This system employed silanol-terminated polydimethylsiloxane (STP) as a healing agent and dibutyltin dilaurate (DD) as a catalyst. STP underwent a condensation reaction at -20 °C in the presence of DD to give a viscoelastic product. The reaction behavior of STP and the viscoelasticity of the reaction product were investigated. STP and DD were separately microencapsulated by in situ polymerization and interfacial polymerization methods, respectively. The STP- and DD-loaded microcapsules were mixed into a commercial enamel paint, and the resulting formulation was applied to glass slides, steel panels, and mortars to prepare self-healing coatings. When the self-healing coatings were damaged at a low temperature (-20 °C), STP and DD were released from broken microcapsules and filled the damaged area. This process was effectively visualized using a fluorescent dye. The self-healing coatings were scratched and subjected to corrosion tests, electrochemical tests, and saline solution permeability tests. The temperature of the self-healing coatings was maintained at -20 °C before and after scratching and during the tests. We successfully demonstrated that the STP/DD-based coating system has good low-temperature self-healing capability.

Self-Healing composites for Mitigation of Impact Damage in US Army Applications

DTIC Science & Technology

1976-12-01

triggering mechanism for self-healing, rupturing the embedded microcapsules and releasing healing agent into In this study, fiber-reinforced...through the inclusion of urea-formaldehyde properties in self-healing materials have focused on microcapsules containing dicyclopentadiene (DCPD) monotonic...systems, healing is Figure 1: (a) Optical micrograph and (b) schematic demonstrating accomplished by incorporating a microencapsulated the self-healing

Carbon Dots as Fillers Inducing Healing/Self-Healing and Anticorrosion Properties in Polymers.

PubMed

Zhu, Cheng; Fu, Yijun; Liu, Changan; Liu, Yang; Hu, Lulu; Liu, Juan; Bello, Igor; Li, Hao; Liu, Naiyun; Guo, Sijie; Huang, Hui; Lifshitz, Yeshayahu; Lee, Shuit-Tong; Kang, Zhenhui

2017-08-01

Self-healing is the way by which nature repairs damage and prolongs the life of bio entities. A variety of practical applications require self-healing materials in general and self-healing polymers in particular. Different (complex) methods provide the rebonding of broken bonds, suppressing crack, or local damage propagation. Here, a simple, versatile, and cost-effective methodology is reported for initiating healing in bulk polymers and self-healing and anticorrosion properties in polymer coatings: introduction of carbon dots (CDs), 5 nm sized carbon nanocrystallites, into the polymer matrix forming a composite. The CDs are blended into polymethacrylate, polyurethane, and other common polymers. The healing/self-healing process is initiated by interfacial bonding (covalent, hydrogen, and van der Waals bonding) between the CDs and the polymer matrix and can be optimized by modifying the functional groups which terminate the CDs. The healing properties of the bulk polymer-CD composites are evaluated by comparing the tensile strength of pristine (bulk and coatings) composites to those of fractured composites that are healed and by following the self-healing of scratches intentionally introduced to polymer-CD composite coatings. The composite coatings not only possess self-healing properties but also have superior anticorrosion properties compared to those of the pure polymer coatings. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Real-time ab initio KMC simulation of the self-assembly and sintering of bimetallic epitaxial nanoclusters: Au + Ag on Ag(100).

PubMed

Han, Yong; Liu, Da-Jiang; Evans, James W

2014-08-13

Far-from-equilibrium shape and structure evolution during formation and post-assembly sintering of bimetallic nanoclusters is extremely sensitive to the periphery diffusion and intermixing kinetics. Precise characterization of the many distinct local-environment-dependent diffusion barriers is achieved for epitaxial nanoclusters using density functional theory to assess interaction energies both with atoms at adsorption sites and at transition states. Kinetic Monte Carlo simulation incorporating these barriers then captures structure evolution on the appropriate time scale for two-dimensional core-ring and intermixed Au-Ag nanoclusters on Ag(100).

Real-Time Ab Initio KMC Simulation of the Self-Assembly and Sintering of Bimetallic Epitaxial Nanoclusters: Au + Ag on Ag(100)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Yong; Liu, Da-Jiang; Evans, James W

2014-08-13

Far-from-equilibrium shape and structure evolution during formation and post-assembly sintering of bimetallic nanoclusters is extremely sensitive to the periphery diffusion and intermixing kinetics. Precise characterization of the many distinct local-environment-dependent diffusion barriers is achieved for epitaxial nanoclusters using density functional theory to assess interaction energies both with atoms at adsorption sites and at transition states. Kinetic Monte Carlo simulation incorporating these barriers then captures structure evolution on the appropriate time scale for two-dimensional core-ring and intermixed Au-Ag nanoclusters on Ag(100).

Low-Temperature Self-Healing of a Microcapsule-Type Protective Coating

PubMed Central

Cho, Yu-Jin; Choi, Ju-Young; Kim, Beom-Jun; Jin, Seung-Won; Chung, Chan-Moon

2017-01-01

Low-temperature self-healing capabilities are essential for self-healing materials exposed to cold environments. Although low-temperature self-healing concepts have been proposed, there has been no report of a microcapsule-type low-temperature self-healing system wherein the healing ability was demonstrated at low temperature. In this work, low-temperature self-healing of a microcapsule-type protective coating was demonstrated. This system employed silanol-terminated polydimethylsiloxane (STP) as a healing agent and dibutyltin dilaurate (DD) as a catalyst. STP underwent a condensation reaction at −20 °C in the presence of DD to give a viscoelastic product. The reaction behavior of STP and the viscoelasticity of the reaction product were investigated. STP and DD were separately microencapsulated by in situ polymerization and interfacial polymerization methods, respectively. The STP- and DD-loaded microcapsules were mixed into a commercial enamel paint, and the resulting formulation was applied to glass slides, steel panels, and mortars to prepare self-healing coatings. When the self-healing coatings were damaged at a low temperature (−20 °C), STP and DD were released from broken microcapsules and filled the damaged area. This process was effectively visualized using a fluorescent dye. The self-healing coatings were scratched and subjected to corrosion tests, electrochemical tests, and saline solution permeability tests. The temperature of the self-healing coatings was maintained at −20 °C before and after scratching and during the tests. We successfully demonstrated that the STP/DD-based coating system has good low-temperature self-healing capability. PMID:28906465

Discrete Diffusion Monte Carlo for Electron Thermal Transport

NASA Astrophysics Data System (ADS)

Chenhall, Jeffrey; Cao, Duc; Wollaeger, Ryan; Moses, Gregory

2014-10-01

The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. is adapted to a Discrete Diffusion Monte Carlo (DDMC) solution method for eventual inclusion in a hybrid IMC-DDMC (Implicit Monte Carlo) method. The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the iSNB-DDMC method will be presented. This work was supported by Sandia National Laboratory - Albuquerque.

Dielectric response of periodic systems from quantum Monte Carlo calculations.

PubMed

Umari, P; Willamson, A J; Galli, Giulia; Marzari, Nicola

2005-11-11

We present a novel approach that allows us to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric-enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wave function, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence, sampled via forward walking. This approach has been validated for the case of an isolated hydrogen atom and then applied to a periodic system, to calculate the dielectric susceptibility of molecular-hydrogen chains. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.

Large-cell Monte Carlo renormalization of irreversible growth processes

NASA Technical Reports Server (NTRS)

Nakanishi, H.; Family, F.

1985-01-01

Monte Carlo sampling is applied to a recently formulated direct-cell renormalization method for irreversible, disorderly growth processes. Large-cell Monte Carlo renormalization is carried out for various nonequilibrium problems based on the formulation dealing with relative probabilities. Specifically, the method is demonstrated by application to the 'true' self-avoiding walk and the Eden model of growing animals for d = 2, 3, and 4 and to the invasion percolation problem for d = 2 and 3. The results are asymptotically in agreement with expectations; however, unexpected complications arise, suggesting the possibility of crossovers, and in any case, demonstrating the danger of using small cells alone, because of the very slow convergence as the cell size b is extrapolated to infinity. The difficulty of applying the present method to the diffusion-limited-aggregation model, is commented on.

Self-healing biomaterials(3)

PubMed Central

Brochu, Alice B. W.; Craig, Stephen L.; Reichert, William M.

2010-01-01

The goal of this review is to introduce the biomaterials community to the emerging field of self-healing materials, and also to suggest how one could utilize and modify self-healing approaches to develop new classes of biomaterials. A brief discussion of the in vivo mechanical loading and resultant failures experienced by biomedical implants is followed by presentation of the self-healing methods for combating mechanical failure. If conventional composite materials that retard failure may be considered zeroth generation self-healing materials, then taxonomically-speaking, first generation self-healing materials describe approaches that “halt” and “fill” damage, whereas second generation self-healing materials strive to “fully restore” the pre-failed material structure. In spite of limited commercial use to date, primarily because the technical details have not been suitably optimized, it is likely from a practical standpoint that first generation approaches will be the first to be employed commercially, whereas second generation approaches may take longer to implement. For self-healing biomaterials the optimization of technical considerations is further compounded by the additional constraints of toxicity and biocompatibility, necessitating inclusion of separate discussions of design criteria for self-healing biomaterials. PMID:21171168

Injectable self-healing carboxymethyl chitosan-zinc supramolecular hydrogels and their antibacterial activity.

PubMed

Wahid, Fazli; Zhou, Ya-Ning; Wang, Hai-Song; Wan, Tong; Zhong, Cheng; Chu, Li-Qiang

2018-04-07

Injectable and self-healing hydrogels have found numerous applications in drug delivery, tissue engineering and 3D cell culture. Herein, we report an injectable self-healing carboxymethyl chitosan (CMCh) supramolecular hydrogels cross-linked by zinc ions (Zn 2+ ). Supramolecular hydrogels were obtained by simple addition of metal ions solution to CMCh solution at an appropriate pH value. The mechanical properties of these hydrogels were adjustable by the concentration of Zn 2+ . For example, the hydrogel with the highest concentration of Zn 2+ (CMCh-Zn4) showed strongest mechanical properties (storage modulus~11,000Pa) while hydrogel with the lowest concentration of Zn 2+ (CMCh-Zn1) showed weakest mechanical properties (storage modulus~220Pa). As observed visually and confirmed rheologically, the CMCh-Zn1 hydrogel with the lowest Zn 2+ concentration showed thixotropic property. CMCh-Zn1 hydrogel also presented injectable property. Moreover, the antibacterial properties of the prepared supramolecular hydrogels were studied against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) by agar well diffusion method. The results revealed Zn 2+ dependent antibacterial properties against both kinds of strains. The inhibition zones were ranging from ~11-24mm and ~10-22mm against S. aureus and E. coli, respectively. We believe that the prepared supramolecular hydrogels could be used as a potential candidate in biomedical fields. Copyright © 2018 Elsevier B.V. All rights reserved.

Monte Carlo Transport for Electron Thermal Transport

NASA Astrophysics Data System (ADS)

Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

2015-11-01

The iSNB (implicit Schurtz Nicolai Busquet multigroup electron thermal transport method of Cao et al. is adapted into a Monte Carlo transport method in order to better model the effects of non-local behavior. The end goal is a hybrid transport-diffusion method that combines Monte Carlo Transport with a discrete diffusion Monte Carlo (DDMC). The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the method will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

Phenomenological modelling of self-healing polymers based on integrated healing agents

NASA Astrophysics Data System (ADS)

Mergheim, Julia; Steinmann, Paul

2013-09-01

The present contribution introduces a phenomenological model for self-healing polymers. Self-healing polymers are a promising class of materials which mimic nature by their capability to autonomously heal micro-cracks. This self-healing is accomplished by the integration of microcapsules containing a healing agent and a dispersed catalyst into the matrix material. Propagating microcracks may then break the capsules which releases the healing agent into the microcracks where it polymerizes with the catalyst, closes the crack and 'heals' the material. The present modelling approach treats these processes at the macroscopic scale, the microscopic details of crack propagation and healing are thus described by means of continuous damage and healing variables. The formulation of the healing model accounts for the fact that healing is directly associated with the curing process of healing agent and catalyst. The model is implemented and its capabilities are studied by means of numerical examples.

Lap shear strength and healing capability of self-healing adhesive containing epoxy/mercaptan microcapsules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghazali, Habibah; Ye, Lin; Zhang, Ming-Qiu

The aim of this work is to develop a self-healing polymeric adhesive formulation with epoxy/mercaptan microcapsules. Epoxy/mercaptan microcapsules were dispersed into a commercialize two-part epoxy adhesive for developing self-healing epoxy adhesive. The influence of different content of microcapsules on the shear strength and healing capability of epoxy adhesive were investigated using single-lap-joints with average thickness of adhesive layer of about 180 µm. This self-healing adhesive was used in bonding of 5000 series aluminum alloys adherents after mechanical and alkaline cleaning surface treatment. The adhesion strength was measured and presented as function of microcapsules loading. The results indicated that the virgin lapmore » shear strength was increased by about 26% with addition of 3 wt% of self-healing microcapsules. 12% to 28% recovery of the shear strength is achieved after self-healing depending on the microcapsules content. Scanning electron microscopy was used to study fracture surface of the joints. The self-healing adhesives exhibit recovery of both cohesion and adhesion properties with room temperature healing.« less

Self-Healing Polymer Dielectric for a High Capacitance Gate Insulator.

PubMed

Ko, Jieun; Kim, Young-Jae; Kim, Youn Sang

2016-09-14

Self-healing materials are required for development of various flexible electronic devices to repair cracks and ruptures caused by repetitive bending or folding. Specifically, a self-healing dielectric layer has huge potential to achieve healing electronics without mechanical breakdown in flexible operations. Here, we developed a high performance self-healing dielectric layer with an ionic liquid and catechol-functionalized polymer which exhibited a self-healing ability for both bulk and film states under mild self-healing conditions at 55 °C for 30 min. Due to the sufficient ion mobility of the ionic liquid in the polymer matrix, it had a high capacitance value above 1 μF/cm(2) at 20 Hz. Moreover, zinc oxide (ZnO) thin-film transistors (TFTs) with a self-healing dielectric layer exhibited a high field-effect mobility of 16.1 ± 3.07 cm(2) V(-1) s(-1) at a gate bias of 3 V. Even after repetitive self-healing of the dielectric layer from mechanical breaking, the electrical performance of the TFTs was well-maintained.

Principles and Applications of Ultrasonic-Based Nondestructive Methods for Self-Healing in Cementitious Materials

PubMed Central

Ahn, Eunjong; Kim, Hyunjun; Sim, Sung-Han; Shin, Sung Woo; Shin, Myoungsu

2017-01-01

Recently, self-healing technologies have emerged as a promising approach to extend the service life of social infrastructure in the field of concrete construction. However, current evaluations of the self-healing technologies developed for cementitious materials are mostly limited to lab-scale experiments to inspect changes in surface crack width (by optical microscopy) and permeability. Furthermore, there is a universal lack of unified test methods to assess the effectiveness of self-healing technologies. Particularly, with respect to the self-healing of concrete applied in actual construction, nondestructive test methods are required to avoid interrupting the use of the structures under evaluation. This paper presents a review of all existing research on the principles of ultrasonic test methods and case studies pertaining to self-healing concrete. The main objective of the study is to examine the applicability and limitation of various ultrasonic test methods in assessing the self-healing performance. Finally, future directions on the development of reliable assessment methods for self-healing cementitious materials are suggested. PMID:28772640

Surface self-organization: From wear to self-healing in biological and technical surfaces

NASA Astrophysics Data System (ADS)

Nosonovsky, Michael; Bhushan, Bharat

2010-04-01

Wear occurs at most solid surfaces that come in contact with other solid surfaces. While biological surfaces and tissues usually have the ability for self-healing, engineered self-healing materials only started to emerge recently. These materials are currently created using the trial-and-error approach and phenomenological models, so there is a need of a general first-principles theory of self-healing. We discuss the conditions under which the self-healing occurs and provide a general theoretical framework and criteria for self-healing using the concept of multiscale organization of entropy and non-equilibrium thermodynamics. The example of epicuticular wax regeneration of plant leaves is discussed as a case study.

Healing efficiency and dynamic mechanical properties of self-healing epoxy systems

NASA Astrophysics Data System (ADS)

Guadagno, Liberata; Raimondo, Marialuigia; Naddeo, Carlo; Longo, Pasquale; Mariconda, Annaluisa; Binder, Wolfgang H.

2014-03-01

Several systems to develop self-repairing epoxy resins have recently been formulated. In this paper the effect of matrix nature and curing cycle on the healing efficiency and dynamic mechanical properties of self-healing epoxy resins were investigated. We discuss several aspects by transferring self-healing systems from the laboratory scale to real applications in the aeronautic field, such as the possibility to choose systems with increased glass transition temperature, high storage modulus and high values in the healing functionality under real working conditions.

Simulation studies of self-organization of microtubules and molecular motors.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jian, Z.; Karpeev, D.; Aranson, I. S.

We perform Monte Carlo type simulation studies of self-organization of microtubules interacting with molecular motors. We model microtubules as stiff polar rods of equal length exhibiting anisotropic diffusion in the plane. The molecular motors are implicitly introduced by specifying certain probabilistic collision rules resulting in realignment of the rods. This approximation of the complicated microtubule-motor interaction by a simple instant collision allows us to bypass the 'computational bottlenecks' associated with the details of the diffusion and the dynamics of motors and the reorientation of microtubules. Consequently, we are able to perform simulations of large ensembles of microtubules and motors onmore » a very large time scale. This simple model reproduces all important phenomenology observed in in vitro experiments: Formation of vortices for low motor density and raylike asters and bundles for higher motor density.« less

Hybrid Monte Carlo-Diffusion Method For Light Propagation in Tissue With a Low-Scattering Region

NASA Astrophysics Data System (ADS)

Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

2003-06-01

The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method.

Hybrid Monte Carlo-diffusion method for light propagation in tissue with a low-scattering region.

PubMed

Hayashi, Toshiyuki; Kashio, Yoshihiko; Okada, Eiji

2003-06-01

The heterogeneity of the tissues in a head, especially the low-scattering cerebrospinal fluid (CSF) layer surrounding the brain has previously been shown to strongly affect light propagation in the brain. The radiosity-diffusion method, in which the light propagation in the CSF layer is assumed to obey the radiosity theory, has been employed to predict the light propagation in head models. Although the CSF layer is assumed to be a nonscattering region in the radiosity-diffusion method, fine arachnoid trabeculae cause faint scattering in the CSF layer in real heads. A novel approach, the hybrid Monte Carlo-diffusion method, is proposed to calculate the head models, including the low-scattering region in which the light propagation does not obey neither the diffusion approximation nor the radiosity theory. The light propagation in the high-scattering region is calculated by means of the diffusion approximation solved by the finite-element method and that in the low-scattering region is predicted by the Monte Carlo method. The intensity and mean time of flight of the detected light for the head model with a low-scattering CSF layer calculated by the hybrid method agreed well with those by the Monte Carlo method, whereas the results calculated by means of the diffusion approximation included considerable error caused by the effect of the CSF layer. In the hybrid method, the time-consuming Monte Carlo calculation is employed only for the thin CSF layer, and hence, the computation time of the hybrid method is dramatically shorter than that of the Monte Carlo method.

Liquid-Like, Self-Healing Aluminum Oxide during Deformation at Room Temperature.

PubMed

Yang, Yang; Kushima, Akihiro; Han, Weizhong; Xin, Huolin; Li, Ju

2018-04-11

Effective protection from environmental degradation relies on the integrity of oxide as diffusion barriers. Ideally, the passivation layer can repair its own breaches quickly under deformation. While studies suggest that the native aluminum oxide may manifest such properties, it has yet to be experimentally proven because direct observations of the air-environmental deformation of aluminum oxide and its initial formation at room temperature are challenging. Here, we report in situ experiments to stretch pure aluminum nanotips under O 2 gas environments in a transmission electron microscope (TEM). We discovered that aluminum oxide indeed deforms like liquid and can match the deformation of Al without any cracks/spallation at moderate strain rate. At higher strain rate, we exposed fresh metal surface, and visualized the self-healing process of aluminum oxide at atomic resolution. Unlike traditional thin-film growth or nanoglass consolidation processes, we observe seamless coalescence of new oxide islands without forming any glass-glass interface or surface grooves, indicating greatly accelerated glass kinetics at the surface compared to the bulk.

Modeling of a self-healing process in blast furnace slag cement exposed to accelerated carbonation

NASA Astrophysics Data System (ADS)

Zemskov, Serguey V.; Ahmad, Bilal; Copuroglu, Oguzhan; Vermolen, Fred J.

2013-02-01

In the current research, a mathematical model for the post-damage improvement of the carbonated blast furnace slag cement (BFSC) exposed to accelerated carbonation is constructed. The study is embedded within the framework of investigating the effect of using lightweight expanded clay aggregate, which is incorporated into the impregnation of the sodium mono-fluorophosphate (Na-MFP) solution. The model of the self-healing process is built under the assumption that the position of the carbonation front changes in time where the rate of diffusion of Na-MFP into the carbonated cement matrix and the reaction rates of the free phosphate and fluorophosphate with the components of the cement are comparable to the speed of the carbonation front under accelerated carbonation conditions. The model is based on an initial-boundary value problem for a system of partial differential equations which is solved using a Galerkin finite element method. The results obtained are discussed and generalized to a three-dimensional case.

Enzymetically regulating the self-healing of protein hydrogels with high healing efficiency.

PubMed

Gao, Yuzhou; Luo, Quan; Qiao, Shanpeng; Wang, Liang; Dong, Zeyuan; Xu, Jiayun; Liu, Junqiu

2014-08-25

Enzyme-mediated self-healing of dynamic covalent bond-driven protein hydrogels was realized by the synergy of two enzymes, glucose oxidase (GOX) and catalase (CAT). The reversible covalent attachment of glutaraldehyde to lysine residues of GOX, CAT, and bovine serum albumin (BSA) led to the formation and functionalization of the self-healing protein hydrogel system. The enzyme-mediated protein hydrogels exhibit excellent self-healing properties with 100% recovery. The self-healing process was reversible and effective with an external glucose stimulus at room temperature. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heat transfer and fluid flow analysis of self-healing in metallic materials

NASA Astrophysics Data System (ADS)

Martínez Lucci, J.; Amano, R. S.; Rohatgi, P. K.

2017-03-01

This paper explores imparting self-healing characteristics to metal matrices similar to what are observed in biological systems and are being developed for polymeric materials. To impart self-healing properties to metal matrices, a liquid healing method was investigated; the met hod consists of a container filled with low melting alloy acting as a healing agent, embedded into a high melting metal matrix. When the matrix is cracked; self-healing is achieved by melting the healing agent allowing the liquid metal to flow into the crack. Upon cooling, solidification of the healing agent occurs and seals the crack. The objective of this research is to investigate the fluid flow and heat transfer to impart self-healing property to metal matrices. In this study, a dimensionless healing factor, which may help predict the possibility of healing is proposed. The healing factor is defined as the ratio of the viscous forces and the contact area of liquid metal and solid which prevent flow, and volume expansion, density, and velocity of the liquid metal, gravity, crack size and orientation which promote flow. The factor incorporates the parameters that control self-healing mechanism. It was observed that for lower values of the healing factor, the liquid flows, and for higher values of healing factor, the liquid remains in the container and healing does not occur. To validate and identify the critical range of the healing factor, experiments and simulations were performed for selected combinations of healing agents and metal matrices. The simulations were performed for three-dimensional models and a commercial software 3D Ansys-Fluent was used. Three experimental methods of synthesis of self-healing composites were used. The first method consisted of creating a hole in the matrices, and liquid healing agent was poured into the hole. The second method consisted of micro tubes containing the healing agent, and the third method consisted of incorporating micro balloons containing the healing agent in the matrix. The observed critical range of the healing factor is between 407 and 495; only for healing factor values below 407 healing was observed in the matrices.

The self-healing composite anticorrosion coating

NASA Astrophysics Data System (ADS)

Yang, Zhao; Wei, Zhang; Le-ping, Liao; Hong-mei, Wang; Wu-jun, Li

Self-healing coatings, which autonomically repair and prevent corrosion of the underlying substrate, are of particular interest for the researchers. In the article, effectiveness of epoxy resin filled microcapsules was investigated for healing of cracks generated in coatings. Microcapsules were prepared by in situ polymerization of urea-formaldehyde resin to form shell over epoxy resindroplets. Characteristics of these capsules were studied by scanning electron microscope (SEM), thermo gravimetric analyzer (TGA) and particle size analyzer. The model system of self-healing antisepsis coating consists of an epoxy resin matrix, 10 wt% microencapsulated healing agent, 2wt% catalyst solution. The self-healing function of this coating system is evaluated through corrosion testing of damaged and healed coated steel samples compared to control samples. Electrochemical testing provides further evidence of passivation of the substrate by self-healing coatings.

Self-healing concrete by use of microencapsulated bacterial spores

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, J.Y.; Laboratory of Microbial Ecology and Technology; Soens, H.

Microcapsules were applied to encapsulate bacterial spores for self-healing concrete. The viability of encapsulated spores and the influence of microcapsules on mortar specimens were investigated first. Breakage of the microcapsules upon cracking was verified by Scanning Electron Microscopy. Self-healing capacity was evaluated by crack healing ratio and the water permeability. The results indicated that the healing ratio in the specimens with bio-microcapsules was higher (48%–80%) than in those without bacteria (18%–50%). The maximum crack width healed in the specimens of the bacteria series was 970 μm, about 4 times that of the non-bacteria series (max 250 μm). The overall watermore » permeability in the bacteria series was about 10 times lower than that in non-bacteria series. Wet–dry cycles were found to stimulate self-healing in mortar specimens with encapsulated bacteria. No self-healing was observed in all specimens stored at 95%RH, indicating that the presence of liquid water is an essential component for self-healing.« less

Design and testing of tubular polymeric capsules for self-healing of concrete

NASA Astrophysics Data System (ADS)

Araújo, M.; Van Tittelboom, K.; Feiteira, J.; Gruyaert, E.; Chatrabhuti, S.; Raquez, J.-M.; Šavija, B.; Alderete, N.; Schlangen, E.; De Belie, N.

2017-10-01

Polymeric healing agents have proven their efficiency to heal cracks in concrete in an autonomous way. However, the bottleneck for valorisation of self-healing concrete with polymeric healing agents is their encapsulation. In the present work, the suitability of polymeric materials such as poly(methyl methacrylate) (PMMA), polystyrene (PS) and poly(lactic acid) (PLA) as carriers for healing agents in self-healing concrete has been evaluated. The durability of the polymeric capsules in different environments (demineralized water, salt water and simulated concrete pore solution) and their compatibility with various healing agents have been assessed. Next, a numerical model was used to simulate capsule rupture when intersected by a crack in concrete and validated experimentally. Finally, two real-scale self-healing concrete beams were made, containing the selected polymeric capsules (with the best properties regarding resistance to concrete mixing and breakage upon crack formation) or glass capsules and a reference beam without capsules. The self-healing efficiency was determined after crack creation by 3-point-bending tests.

An off-lattice, self-learning kinetic Monte Carlo method using local environments.

PubMed

Konwar, Dhrubajit; Bhute, Vijesh J; Chatterjee, Abhijit

2011-11-07

We present a method called local environment kinetic Monte Carlo (LE-KMC) method for efficiently performing off-lattice, self-learning kinetic Monte Carlo (KMC) simulations of activated processes in material systems. Like other off-lattice KMC schemes, new atomic processes can be found on-the-fly in LE-KMC. However, a unique feature of LE-KMC is that as long as the assumption that all processes and rates depend only on the local environment is satisfied, LE-KMC provides a general algorithm for (i) unambiguously describing a process in terms of its local atomic environments, (ii) storing new processes and environments in a catalog for later use with standard KMC, and (iii) updating the system based on the local information once a process has been selected for a KMC move. Search, classification, storage and retrieval steps needed while employing local environments and processes in the LE-KMC method are discussed. The advantages and computational cost of LE-KMC are discussed. We assess the performance of the LE-KMC algorithm by considering test systems involving diffusion in a submonolayer Ag and Ag-Cu alloy films on Ag(001) surface.

Repetitive Biomimetic Self-healing of Ca2+-Induced Nanocomposite Protein Hydrogels

NASA Astrophysics Data System (ADS)

Chen, Jun; Dong, Qiuchen; Ma, Xiaoyu; Fan, Tai-Hsi; Lei, Yu

2016-08-01

Self-healing is a capacity observed in most biological systems in which the healing processes are autonomously triggered after the damage. Inspired by this natural behavior, researchers believed that a synthetic material possessing similar self-recovery capability could also be developed. Albeit various intrinsic self-healing systems have been developed over the past few decades, restriction on the biocompatibility due to the required synthetic conditions under extreme pH and with poisonous cross-linker significantly limits their application in biomedical field. In this study, a highly biocompatible nanocomposite protein hydrogel with excellent biomimetic self-healing property is presented. The self-healing protein gel is made by inducing calcium ions into the mixture of heat-induced BSA nano-aggregates and pristine BSA molecules at room temperature and under physiological pH due to the ion-mediated protein-protein association and the bridging effect of divalent Ca2+ ions. The as-prepared protein hydrogel shows excellent repetitive self-healing properties without using any external stimuli at ambient condition. Such outstanding self-recovery performance was quantitatively evaluated/validated by both dynamic and oscillatory rheological analysis. Moreover, with the presence of calcium ions, the self-healing behavior can be significantly facilitated/enhanced. Finally, the superior biocompatibility demonstrated by in vitro cytotoxicity analysis suggests that it is a promising self-healing material well-suited for biomedical applications.

Repetitive Biomimetic Self-healing of Ca2+-Induced Nanocomposite Protein Hydrogels

PubMed Central

Chen, Jun; Dong, Qiuchen; Ma, Xiaoyu; Fan, Tai-Hsi; Lei, Yu

2016-01-01

Self-healing is a capacity observed in most biological systems in which the healing processes are autonomously triggered after the damage. Inspired by this natural behavior, researchers believed that a synthetic material possessing similar self-recovery capability could also be developed. Albeit various intrinsic self-healing systems have been developed over the past few decades, restriction on the biocompatibility due to the required synthetic conditions under extreme pH and with poisonous cross-linker significantly limits their application in biomedical field. In this study, a highly biocompatible nanocomposite protein hydrogel with excellent biomimetic self-healing property is presented. The self-healing protein gel is made by inducing calcium ions into the mixture of heat-induced BSA nano-aggregates and pristine BSA molecules at room temperature and under physiological pH due to the ion-mediated protein-protein association and the bridging effect of divalent Ca2+ ions. The as-prepared protein hydrogel shows excellent repetitive self-healing properties without using any external stimuli at ambient condition. Such outstanding self-recovery performance was quantitatively evaluated/validated by both dynamic and oscillatory rheological analysis. Moreover, with the presence of calcium ions, the self-healing behavior can be significantly facilitated/enhanced. Finally, the superior biocompatibility demonstrated by in vitro cytotoxicity analysis suggests that it is a promising self-healing material well-suited for biomedical applications. PMID:27545280

An Assessment of Self-Healing Fiber Reinforced Composites

NASA Technical Reports Server (NTRS)

Smith, Joseph G., Jr.

2012-01-01

Several reviews and books have been written concerning self-healing polymers over the last few years. These have focused primarily on the types of self-healing materials being studied, with minor emphasis given to composite properties. The purpose of this review is to assess the self-healing ability of these materials when utilized in fiber reinforced composites

Thermally responsive polymer systems for self-healing, reversible adhesion and shape memory applications

NASA Astrophysics Data System (ADS)

Luo, Xiaofan

Responsive polymers are "smart" materials that are capable of performing prescribed, dynamic functions under an applied stimulus. In this dissertation, we explore several novel design strategies to develop thermally responsive polymers and polymer composites for self-healing, reversible adhesion and shape memory applications. In the first case described in Chapters 2 and 3, a thermally triggered self-healing material was prepared by blending a high-temperature epoxy resin with a thermoplastic polymer, poly(epsilon-caprolactone) (PCL). The initially miscible system undergoes polymerization induced phase separation (PIPS) during the curing of epoxy and yields a variety of compositionally dependent morphologies. At a particular PCL loading, the cured blend displays a "bricks-and-mortar" morphology in which epoxy exists as interconnected spheres ("bricks") within a continuous PCL matrix ("mortar"). A heat induced "bleeding" phenomenon was observed in the form of spontaneous wetting of all free surfaces by the molten PCL, and is attributed to the volumetric thermal expansion of PCL above its melting point in excess of epoxy brick expansion, which we term differential expansive bleeding (DEB). This DEB is capable of healing damage such as cracks. In controlled self-healing experiments, heating of a cracked specimen led to PCL bleeding from the bulk that yields a liquid layer bridging the crack gap. Upon cooling, a "scar" composed of PCL crystals was formed at the site of the crack, restoring a significant portion of mechanical strength. We further utilized DEB to enable strong and thermally-reversible adhesion of the material to itself and to metallic substrates, without any requirement for macroscopic softening or flow. After that, Chapters 4--6 present a novel composite strategy for the design and fabrication of shape memory polymer composites. The basic approach involves physically combining two or more functional components into an interpenetrating fiber/matrix structure, allowing them to function in a synergistic fashion yet remain physically separated. This latter aspect is critical since it enables the control of overall composite properties and functions by separately tuning each component. Utilizing the intrinsic versatility of this approach, composites with novel properties and functions (in addition to "regular" shape memory) have been developed, including (1) shape memory elastomeric composites (SMECs; Chapter 4), (2) triple-shape polymeric composites (TSPCs; Chapter 5), and (3) electrically conductive nanocomposites (Chapter 6). Then in Chapter 7, by combining the success in both thermoplastic based self-healing and shape memory polymer composites, we demonstrate a thermally triggered self-healing coating. This coating features a unique "shape memory assisted self-healing" mechanism in which crack closure (via shape memory) and crack re-bonding (via melting and diffusion of the thermoplastic healing agent) are achieved simultaneously upon a single heating step, leading to both structural and functional (corrosion resistance) recovery. Finally, Chapter 8 presents for the first time the preparation of functionally graded shape memory polymers (SMPs) that, unlike conventional SMPs, have a range of glass transition temperatures that are spatially graded. This was achieved using a temperature gradient curing method that imposes different vitrification limits at different positions along the gradient. The resulting material is capable of responding to a wide range of thermal triggers and a good candidate for low-cost, material based temperature sensors. All the aforementioned materials and methods show great potential for practical applications due to their high performance, low cost and broad applicability. Some recommendations for future research and development are given in Chapter 9.

Design of a biomimetic self-healing superalloy composite

NASA Astrophysics Data System (ADS)

Files, Bradley Steven

1997-10-01

Use of systems engineering concepts to design technologically advanced materials has allowed ambitious goals of self-healing alloys to be realized. Shape memory alloy reinforcements are embedded in an alloy matrix to demonstrate concepts of stable crack growth and matrix crack closure. Computer methods are used to design thermodynamically compatible iron-based alloys using bio-inspired concepts of crack bridging and self-healing. Feasibility of crack closure and stable crack growth is shown in a prototype system with a Sn-Bi matrix and TiNi fibers. Design of Fe-Ni-Co-Ti-Al alloys using thermodynamic models to determine stabilities and phase equilibria allows for a methodical system designing compatible multicomponent alloys for composite systems. Final alloy computations for this project led to the alloy Fe-27.6Ni-18.2Co-4.1Ti-1.6Al as a compatible shape memory a with a 650sp°C 90 minute heat treatment leading to martensite and austenite start temperatures (Msbs and Asbs) near room temperature. Thin slices of this alloy were able to fully recover at least 5% strain upon unloading heating. Composites made from the designed shape memory alloy and a compatible Fe-based B2 matrix were used to test self-healing concepts in the superalloy system. Diffusion couple experiments verified thermodynamic compatibility between matrix and reinforcement alloys at the solution treatment temperature of 1100sp°C. Concepts of stable crack growth and crack bridging were demonstrated in the composite, leading to enhanced toughness of the brittle matrix. However, healing behavior in this system was limited by intergranular fracture of the reinforcement alloy. It is believed that use of rapidly solidified powders could eliminate intergranular fracture, leading to greatly enhanced properties of toughening and healing. Crack clamping and stable crack growth were achieved in a feasibility study using a Sn-Bi matrix reinforced with TiNi fibers. Tensile specimens with less than 1% fibers showed an ability upon heating to recover over 80% of the plastic deformation induced during a tensile test. Further straining proved that stable crack growth can be realized in this system due to crack bridging of the shape memory fibers. Macroscopic cracks were clamped shut after heating of the material above the TiNi reversion temperature.

The microstructure of capsule containing self-healing materials: A micro-computed tomography study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Stappen, Jeroen, E-mail: Jeroen.Vanstappen@uge

Autonomic self-healing materials are materials with built-in (micro-) capsules or vessels, which upon fracturing release healing agents in order to recover the material's physical and mechanical properties. In order to better understand and engineer these materials, a thorough characterization of the material's microstructural behavior is essential and often overlooked. In this context, micro-computed tomography (μCT) can be used to investigate the three dimensional distribution and (de)bonding of (micro-) capsules in their native state in a polymer system with self-healing properties. Furthermore, in-situ μCT experiments in a self-healing polymer and a self-healing concrete system can elucidate the breakage and leakage behaviormore » of (micro-) capsules at the micrometer scale. While challenges related to image resolution and contrast complicate the characterization in specific cases, non-destructive 3D imaging with μCT is shown to contribute to the understanding of the link between the microstructure and the self-healing behavior of these complex materials. - Highlights: • μCT imaging allows for the analysis of microcapsule distribution patterns in self-healing materials. • μCT allows for qualitative and quantitative measurements of healing agent release from carriers in self-healing materials. • Experimental set-ups can be optimized by changing chemical compounds in the system to ensure maximum quality imaging.« less

Analytical model for effects of capsule shape on the healing efficiency in self-healing materials

PubMed Central

Li, Songpeng; Chen, Huisu

2017-01-01

The fundamental requirement for the autonomous capsule-based self-healing process to work is that cracks need to reach the capsules and break them such that the healing agent can be released. Ignoring all other aspects, the amount of healing agents released into the crack is essential to obtain a good healing. Meanwhile, from the perspective of the capsule shapes, spherical or elongated capsules (hollow tubes/fibres) are the main morphologies used in capsule-based self-healing materials. The focus of this contribution is the description of the effects of capsule shape on the efficiency of healing agent released in capsule-based self-healing material within the framework of the theory of geometrical probability and integral geometry. Analytical models are developed to characterize the amount of healing agent released per crack area from capsules for an arbitrary crack intersecting with capsules of various shapes in a virtual capsule-based self-healing material. The average crack opening distance is chosen to be a key parameter in defining the healing potential of individual cracks in the models. Furthermore, the accuracy of the developed models was verified by comparison to the data from a published numerical simulation study. PMID:29095862

Convergence and Efficiency of Adaptive Importance Sampling Techniques with Partial Biasing

NASA Astrophysics Data System (ADS)

Fort, G.; Jourdain, B.; Lelièvre, T.; Stoltz, G.

2018-04-01

We propose a new Monte Carlo method to efficiently sample a multimodal distribution (known up to a normalization constant). We consider a generalization of the discrete-time Self Healing Umbrella Sampling method, which can also be seen as a generalization of well-tempered metadynamics. The dynamics is based on an adaptive importance technique. The importance function relies on the weights (namely the relative probabilities) of disjoint sets which form a partition of the space. These weights are unknown but are learnt on the fly yielding an adaptive algorithm. In the context of computational statistical physics, the logarithm of these weights is, up to an additive constant, the free-energy, and the discrete valued function defining the partition is called the collective variable. The algorithm falls into the general class of Wang-Landau type methods, and is a generalization of the original Self Healing Umbrella Sampling method in two ways: (i) the updating strategy leads to a larger penalization strength of already visited sets in order to escape more quickly from metastable states, and (ii) the target distribution is biased using only a fraction of the free-energy, in order to increase the effective sample size and reduce the variance of importance sampling estimators. We prove the convergence of the algorithm and analyze numerically its efficiency on a toy example.

Effect of link oriented self-healing on resilience of networks

NASA Astrophysics Data System (ADS)

Shang, Yilun

2016-08-01

Many real, complex systems, such as the human brain and skin with their biological networks or intelligent material systems consisting of composite functional liquids, exhibit a noticeable capability of self-healing. Here, we study a network model with arbitrary degree distributions possessing natural link oriented recovery mechanisms, whereby a failed link can be recovered if its two end nodes maintain a sufficient proportion of functional links. These mechanisms are pertinent for many spontaneous healing and manual repair phenomena, interpolating smoothly between complete healing and no healing scenarios. We show that the self-healing strategies have profound impact on resilience of homogeneous and heterogeneous networks employing a percolation threshold, fraction of giant cluster, and link robustness index. The self-healing effect induces distinct resilience characteristics for scale-free networks under random failures and intentional attacks, and a resilience crossover has been observed at certain level of self-healing. Our work highlights the significance of understanding the competition between healing and collapsing in the resilience of complex networks.

A novel methodology for self-healing at the nanoscale in CNT/epoxy composites

NASA Astrophysics Data System (ADS)

Quigley, E.; Datta, S.; Chattopadhyay, A.

2016-04-01

Self-healing materials have the potential to repair induced damage and extend the service life of aerospace or civil components as well as prevent catastrophic failure. A novel technique to provide self-healing capabilities at the nanoscale in carbon nanotube/epoxy nanocomposites is presented in this paper. Carbon nanotubes (CNTs) functionalized with the healing agent (dicyclopentadiene) were used to fabricate self-healing CNT/epoxy nanocomposite films. The structure of CNTs was considered suitable for this application since they are nanosized, hollow, and provide a more consistent size distribution than polymeric nanocapsules. Specimens with different weight fractions of the functionalized CNTs were fabricated to explore the effect of weight fraction of functionalized CNTs on the extent of healing. Optical micrographs with different fluorescent filters showed partial or complete healing of damage approximately two to three weeks after damage was induced. Results indicate that by using CNTs to encapsulate a healing agent, crack growth in self-healing CNT/epoxy nanocomposites can be retarded, leading to safer materials that can autonomously repair itself.

2007 Beyond SBIR Phase II: Bringing Technology Edge to the Warfighter

DTIC Science & Technology

2007-08-23

Systems Trade-Off Analysis and Optimization Verification and Validation On-Board Diagnostics and Self - healing Security and Anti-Tampering Rapid...verification; Safety and reliability analysis of flight and mission critical systems On-Board Diagnostics and Self - Healing Model-based monitoring and... self - healing On-board diagnostics and self - healing ; Autonomic computing; Network intrusion detection and prevention Anti-Tampering and Trust

Biomimetic Self-Healing

DTIC Science & Technology

2015-07-21

typically degrade quickly and are not capable of forming new bonds. In the 1930s it was already found that vulcanized rubber could self - heal in the...To overcome this limitation, Diesendruck et al. demonstrated Scheme 1. Mechanochemical scission and self - healing in vulcanized rubber . Long-lived...effective autonomic self - healing for soft materials. Cordier et al. prepared supramolecular rubbers based on hydrogen bonding between urea-functionalized

Calculating Potential Energy Curves with Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2014-06-01

Quantum Monte Carlo (QMC) is a computational technique that can be applied to the electronic Schrödinger equation for molecules. QMC methods such as Variational Monte Carlo (VMC) and Diffusion Monte Carlo (DMC) have demonstrated the capability of capturing large fractions of the correlation energy, thus suggesting their possible use for high-accuracy quantum chemistry calculations. QMC methods scale particularly well with respect to parallelization making them an attractive consideration in anticipation of next-generation computing architectures which will involve massive parallelization with millions of cores. Due to the statistical nature of the approach, in contrast to standard quantum chemistry methods, uncertainties (error-bars) are associated with each calculated energy. This study focuses on the cost, feasibility and practical application of calculating potential energy curves for small molecules with QMC methods. Trial wave functions were constructed with the multi-configurational self-consistent field (MCSCF) method from GAMESS-US.[1] The CASINO Monte Carlo quantum chemistry package [2] was used for all of the DMC calculations. An overview of our progress in this direction will be given. References: M. W. Schmidt et al. J. Comput. Chem. 14, 1347 (1993). R. J. Needs et al. J. Phys.: Condensed Matter 22, 023201 (2010).

Puncture Self-Healing Polymers for Aerospace Applications

NASA Technical Reports Server (NTRS)

Gordon, Keith L.; Penner, Ronald K.; Bogert, Phil B.; Yost, W. T.; Siochi, Emilie J.

2011-01-01

Space exploration launch costs on the order of $10K per pound provide ample incentive to seek innovative, cost-effective ways to reduce structural mass without sacrificing safety and reliability. Damage-tolerant structural systems can provide a route to avoiding weight penalty while enhancing vehicle safety and reliability. Self-healing polymers capable of spontaneous puncture repair show great promise to mitigate potentially catastrophic damage from events such as micrometeoroid penetration. Effective self-repair requires these materials to heal instantaneously following projectile penetration while retaining structural integrity. Poly(ethylene-co-methacrylic acid) (EMMA), also known as Surlyn is an ionomer-based copolymer that undergoes puncture reversal (self-healing) following high impact puncture at high velocities. However EMMA is not a structural engineering polymer, and will not meet the demands of aerospace applications requiring self-healing engineering materials. Current efforts to identify candidate self-healing polymer materials for structural engineering systems are reported. Rheology, high speed thermography, and high speed video for self-healing semi-crystalline and amorphous polymers will be reported.

Development of self-healing polymers via amine-epoxy chemistry: II. Systematic evaluation of self-healing performance

NASA Astrophysics Data System (ADS)

Zhang, He; Yang, Jinglei

2014-06-01

Part I of this study (H Zhang and J Yang 2014 Smart Mater. Struct. 23 065003) reported the preparation and characterization of epoxy microcapsules (EP-capsules) and amine loaded hollow glass bubbles (AM-HGBs), and the modeling of a two-part self-healing system. In part II, the self-healing performance of this material system is systematically investigated. Various factors including the ratio, the total concentration and the size of the two carriers are studied as well as the healing temperature and the post heat treatment process. The best healing performance is obtained at a ratio of 1:3 of EP-capsules to AM-HGBs. It is observed that a higher concentration of larger carriers, together with a higher healing temperature, enables better healing behavior. Healing efficiency of up to 93% is obtained in these systems. In addition, post heat treatment decreases the healing efficiency due to stoichiometric mismatch of healing agents caused by leakage of amine in the HGBs at elevated temperature.

Development of Micro and Nanostructured Materials for Interfacial Self-Healing

ERIC Educational Resources Information Center

Blaiszik, Benjamin James

2009-01-01

Damage in polymeric coatings, adhesives, microelectronic components, and composites spans many length scales. For small scale damage, autonomic self-healing can repair multiple damage modes without manual intervention. In autonomic self-healing materials, a healing response is triggered by damage to the material. Size scale considerations, such as…

Activation-deactivation of self-healing in supramolecular rubbers

NASA Astrophysics Data System (ADS)

Corte, Laurent; Maes, Florine; Montarnal, Damien; Cantournet, Sabine; Tournilhac, Francois; Leibler, Ludwik; Mines-Paristech Cnrs (Umr7633) Team; Espci-Paristech Cnrs (Umr7167) Team

2011-03-01

Self-healing materials have the ability to restore autonomously their structural integrity after damage. Such a remarkable property was obtained recently in supramolecular rubbers formed by a network of small molecules associated via hydrogen bonds. Here we explore this self-healing through an original tack experiment where two parts of supramolecular rubber are brought into contact and then separated. These experiments reveal that a strong self-healing ability is activated by damage even though the surfaces of a molded part are weakly self-adhesive. In our testing conditions, a five minute contact between crack faces is sufficient to recover most mechanical properties of the bulk while days are required to obtain such adhesion levels with melt-pressed surfaces. We show that the deactivation of this self-healing ability seems unexpectedly slow as compared to the predicted dynamics of supramolecular networks. Fracture faces stored apart at room temperature still self-heal after days but are fully deactivated within hours by annealing. Combining these results with microstructural observations gives us a deeper insight into the mechanisms involved in this self-healing process.

Performance of quantum Monte Carlo for calculating molecular bond lengths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cleland, Deidre M., E-mail: deidre.cleland@csiro.au; Per, Manolo C., E-mail: manolo.per@csiro.au

2016-03-28

This work investigates the accuracy of real-space quantum Monte Carlo (QMC) methods for calculating molecular geometries. We present the equilibrium bond lengths of a test set of 30 diatomic molecules calculated using variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) methods. The effect of different trial wavefunctions is investigated using single determinants constructed from Hartree-Fock (HF) and Density Functional Theory (DFT) orbitals with LDA, PBE, and B3LYP functionals, as well as small multi-configurational self-consistent field (MCSCF) multi-determinant expansions. When compared to experimental geometries, all DMC methods exhibit smaller mean-absolute deviations (MADs) than those given by HF, DFT, and MCSCF.more » The most accurate MAD of 3 ± 2 × 10{sup −3} Å is achieved using DMC with a small multi-determinant expansion. However, the more computationally efficient multi-determinant VMC method has a similar MAD of only 4.0 ± 0.9 × 10{sup −3} Å, suggesting that QMC forces calculated from the relatively simple VMC algorithm may often be sufficient for accurate molecular geometries.« less

Modeling 2D and 3D diffusion.

PubMed

Saxton, Michael J

2007-01-01

Modeling obstructed diffusion is essential to the understanding of diffusion-mediated processes in the crowded cellular environment. Simple Monte Carlo techniques for modeling obstructed random walks are explained and related to Brownian dynamics and more complicated Monte Carlo methods. Random number generation is reviewed in the context of random walk simulations. Programming techniques and event-driven algorithms are discussed as ways to speed simulations.

Self-consistent Monte Carlo study of high-field carrier transport in graded heterostructures

NASA Astrophysics Data System (ADS)

Al-Omar, A.; Krusius, J. P.

1987-11-01

Hot-electron transport over graded heterostructures was investigated. A new formulation of the carrier transport, based on the effective mass theorem, a position-dependent Hamiltonian, scattering rates that included overlap integrals with correct symmetry, and ohmic contact models preserving the stochastic nature of carrier injection, was developed and implemented into the self-consistent ensemble Monte Carlo method. Hot-carrier transport in a graded Al(x)Ga(1-x)As device was explored with the following results: (1) the transport across compositionally graded semiconductor structures cannot be described with drift and diffusion concepts; (2) although heterostructure launchers generate a ballistic electron fraction as high as 15 percent and 40 percent of the total electron population for 300 and 77 K, respectively, they simultaneously reduce macroscopic average currents and carrier velocities; and (3) the width of the ballistic electron distribution and the magnitude of the ballistic fraction are primarily determined by material parameters and operating voltages rather than details of the device structure.

First-principles investigation of thermodynamic and kinetic properties in titanium-hydrogen system and B2-nickel-alminum compound: Phase stability, point defect complexes and diffusion

NASA Astrophysics Data System (ADS)

Xu, Qingchuan

The purpose of this thesis is to show the technique of predicting thermodynamic and kinetic properties from first-principles using density functional theory (DFT) calculations, cluster expansion methods and Monte Carlo simulations instead of experiments. Two material systems are selected as examples: one is an interstitial system (Ti-H system) and another is a substitutional compound (B2-NiAl alloy). For Ti-H system, this thesis investigated hydride stability, exploring the role of configurational degrees of freedom, zero-point vibrational energy and coherency strains. The tetragonal gamma-TiH phase was predicted to be unstable relative to hcp alpha-Ti and fcc based delta-TiH2. Zero point vibrational energy makes the gamma phase even less stable. The coherency strains between hydride precipitates and alpha-Ti matrix stabilize gamma-TiH relative to alpha-Ti and delta-TiH2. We also found that hydrogen prefers octahedral sites at low hydrogen concentration and tetrahedral sites at high concentration. For B2-NiAl, this thesis investigated the point defects and various diffusion mechanisms. A low barrier collective hop was discovered that could mediate Al diffusion through the anti-structural-bridge (ASB) mechanism. We also found an alternative hop sequence for the migration of a triple defect and a six-jump-cycle than that proposed previously. Going beyond the mean field approximation, we found that the inclusion of interactions among point defects is crucial to predict the concentration of defect complexes. Accounting for interactions among defects and incorporating all diffusion mechanisms proposed for B2-NiAl in Monte Carlo simulation, we calculated tracer diffusion coefficients. For the first time, the relative importance of various diffusion mechanisms is revealed. The ASB hop is the dominant mechanism for Ni in Ni-rich alloy and for Al diffusion in Al-rich alloys. Other mechanisms also play a role to various extents. We also calculated the self and interdiffusion coefficients for B2-NiAl. We found in Al-rich alloys that the thermodynamic factor of Al is much greater than that of Ni while in Ni-rich alloys they are very similar. This difference in thermodynamic factors results in a much higher self-diffusion coefficient of Al compared to that of Ni in Al-rich alloys and also causes two different interdiffusion coefficients.

Effect of blast furnace slag on self-healing of microcracks in cementitious materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Haoliang, E-mail: haoliang.huang@tudelft.nl; Ye, Guang; Magnel Laboratory for Concrete Research, Department of Structural Engineering, Ghent University

The physico-chemical process of self-healing in blast furnace slag cement paste was investigated in this paper. With a high slag content i.e., 66% in cement paste and saturated Ca(OH)₂ solution as activator, it was found that the reaction products formed in cracks are composed of C-S-H, ettringite, hydrogarnet and OH–hydrotalcite. The fraction of C-S-H in the reaction products is much larger than the other minerals. Large amount of ettringite formed in cracks indicates the leaching of SO₄⁻² ions from the bulk paste and consequently the recrystallization. Self-healing proceeds fast within 50 h and then slows down. According to thermodynamic modeling,more » when the newly formed reaction products are carbonated, the filling fraction of crack increases first and then decreases. Low soluble minerals such as silica gel, gibbsite and calcite are formed. Compared to Portland cement paste, the potential of self-healing in slag cement paste is higher when the percentage of slag is high. Highlights: • Self-healing reaction products in slag cement paste were characterized. • Self-healing reaction products formed in time were quantified with image analysis. • Self-healing in slag cement paste was simulated with a reactive transport model. • Effect of carbonation on self-healing was investigated by thermodynamic modeling. • Effect of slag on self-healing was discussed based on experiments and simulation.« less

Mussel-inspired immobilization of BN nanosheets onto poly(p-phenylene benzobisoxazole) fibers: Multifunctional interface for photothermal self-healing

NASA Astrophysics Data System (ADS)

Shao, Qing; Hu, Zhen; Xu, Xirong; Yu, Long; Zhang, Dayu; Huang, Yudong

2018-05-01

The composites with interfacial self-healing ability are smart and promising materials in the future. Although some approaches have been used to heal the micro-cracks in composite materials, it is still a great challenge to develop a versatile strategy to fabricate multifunctional interface for self-healing. Here, boron nitride nanosheets (BN) are immobilized onto PBO fibers by facile polydopamine (PDA) chemistry. Benefiting from the photothermal effect of BN-PDA, the obtained surface layer displays interfacial self-healing properties under Xenon light irradiation.

Damage initiated self-healing in ionomer blends

NASA Astrophysics Data System (ADS)

Rahman, Md. Arifur; Penco, Maurizio; Spagnoli, Gloria; Peroni, Isabella; Ramorino, Giorgio; Sartore, Luciana; Bignotti, Fabio; Landro, Luca Di

2012-07-01

The development and understanding of self-healing mechanisms have been investigated in blends of ionomers (Poly(ethyelene-co-methacrylic acid), sodium & zinc ions) (EMNa & EMZn) containing both elastomers (Epoxidized natural rubbers (ENR) and cis-1,4-Polyisoprene (PISP)) and crystalline component (Poly(vinly alcohol-co-ethylene) [PVAcE]) as secondary phases. All the blends were prepared by melt-blending and self-healing behavior was studied in ballistic puncture tests. Self-healing behavior of each material was evaluated by observing the impact zones under a stereo-optical microscope and the micrographic results were further supported by the fluid flow test in the punctured zones. Interestingly, ENR50 blends of sodium ion containing ionomers exhibited complete self-repairing behavior while zinc ion containing ionomer showed limited mending but EMNa/ENR25 and EMNa/PISP blends did not show any self-healing behavior following the damage. On the other hand, a composition dependent healing behavior was observed in the EMNa/PVAcE blends where healing was observed up to 30wt% PVAcE containing blends. The chemical structure studied by FTIR analysis showed that both ion content of ionomer and functionality of ENR have significant influence on the self-repairing behavior of blends. TEM analysis revealed that self-healing occurs in the blends when the dispersed phase has a dimension of 100 to 400 nm.

Dynamics of solid thin-film dewetting in the silicon-on-insulator system

NASA Astrophysics Data System (ADS)

Bussmann, E.; Cheynis, F.; Leroy, F.; Müller, P.; Pierre-Louis, O.

2011-04-01

Using low-energy electron microscopy movies, we have measured the dewetting dynamics of single-crystal Si(001) thin films on SiO2 substrates. During annealing (T>700 °C), voids open in the Si, exposing the oxide. The voids grow, evolving Si fingers that subsequently break apart into self-organized three-dimensional (3D) Si nanocrystals. A kinetic Monte Carlo model incorporating surface and interfacial free energies reproduces all the salient features of the morphological evolution. The dewetting dynamics is described using an analytic surface-diffusion-based model. We demonstrate quantitatively that Si dewetting from SiO2 is mediated by surface-diffusion driven by surface free-energy minimization.

Self-Healing Textile: Enzyme Encapsulated Layer-by-Layer Structural Proteins.

PubMed

Gaddes, David; Jung, Huihun; Pena-Francesch, Abdon; Dion, Genevieve; Tadigadapa, Srinivas; Dressick, Walter J; Demirel, Melik C

2016-08-10

Self-healing materials, which enable an autonomous repair response to damage, are highly desirable for the long-term reliability of woven or nonwoven textiles. Polyelectrolyte layer-by-layer (LbL) films are of considerable interest as self-healing coatings due to the mobility of the components comprising the film. In this work mechanically stable self-healing films were fabricated through construction of a polyelectrolyte LbL film containing squid ring teeth (SRT) proteins. SRTs are structural proteins with unique self-healing properties and high elastic modulus in both dry and wet conditions (>2 GPa) due to their semicrystalline architecture. We demonstrate LbL construction of multilayers containing native and recombinant SRT proteins capable of self-healing defects. Additionally, we show these films are capable of utilizing functional biomolecules by incorporating an enzyme into the SRT multilayer. Urease was chosen as a model enzyme of interest to test its activity via fluorescence assay. Successful construction of the SRT films demonstrates the use of mechanically stable self-healing coatings, which can incorporate biomolecules for more complex protective functionalities for advanced functional fabrics.

All-printed magnetically self-healing electrochemical devices

PubMed Central

Bandodkar, Amay J.; López, Cristian S.; Vinu Mohan, Allibai Mohanan; Yin, Lu; Kumar, Rajan; Wang, Joseph

2016-01-01

The present work demonstrates the synthesis and application of permanent magnetic Nd2Fe14B microparticle (NMP)–loaded graphitic inks for realizing rapidly self-healing inexpensive printed electrochemical devices. The incorporation of NMPs into the printable ink imparts impressive self-healing ability to the printed conducting trace, with rapid (~50 ms) recovery of repeated large (3 mm) damages at the same or different locations without any user intervention or external trigger. The permanent and surrounding-insensitive magnetic properties of the NMPs thus result in long-lasting ability to repair extreme levels of damage, independent of ambient conditions. This remarkable self-healing capability has not been reported for existing man-made self-healing systems and offers distinct advantages over common capsule and intrinsically self-healing systems. The printed system has been characterized by leveraging crystallographic, magnetic hysteresis, microscopic imaging, electrical conductivity, and electrochemical techniques. The real-life applicability of the new self-healing concept is demonstrated for the autonomous repair of all-printed batteries, electrochemical sensors, and wearable textile-based electrical circuits, indicating considerable promise for widespread practical applications and long-lasting printed electronic devices. PMID:27847875

Recent development and biomedical applications of self-healing hydrogels.

PubMed

Wang, Yinan; Adokoh, Christian K; Narain, Ravin

2018-01-01

Hydrogels are of special importance, owing to their high-water content and various applications in biomedical and bio-engineering research. Self-healing properties is a common phenomenon in living organisms. Their endowed property of being able to self-repair after physical/chemical/mechanical damage to fully or partially its original properties demonstrates their prospective therapeutic applications. Due to complicated preparation and selection of suitable materials, the application of many host-guest supramolecular polymeric hydrogels are so limited. Thus, the design and construction of self-repairing material are highly desirable for effectively increase in the lifetime of a functional material. However, recent advances in the field of materials science and bioengineering and nanotechnology have led to the design of biologically relevant self-healing hydrogels for therapeutic applications. This review focuses on the recent development of self-healing hydrogels for biomedical application. Areas covered: The strategies of making self-healing hydrogels and their healing mechanisms are discussed. The significance of self-healing hydrogel for biomedical application is also highlighted in areas such as 3D/4D printing, cell/drug delivery, as well as soft actuators. Expert opinion: Materials that have the ability to self-repair damage and regain the desired mechanical properties, have been found to be excellent candidate materials for a range of biomedical uses especially if their unique characteristics are similar to that of soft-tissues. Self-healing hydrogels have been synthesized and shown to exhibit similar characteristics as human tissues, however, significant improvement is required in the fabrication process from inexpensive and nontoxic/non-hazardous materials and techniques, and, in addition, further fine-tuning of the self-healing properties are needed for specific biomedical uses.

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagnetic α-Fe-Si alloys

NASA Astrophysics Data System (ADS)

Nandipati, Giridhar; Jiang, Xiujuan; Vemuri, Rama S.; Mathaudhu, Suveen; Rohatgi, Aashish

2018-01-01

Diffusion of Si atom and vacancy in the A2-phase of α-Fe-Si alloys in the ferromagnetic state, with and without magnetic order and in various temperature ranges, are studied using AKSOME, an on-lattice self-learning KMC code. Diffusion of the Si atom and the vacancy are studied in the dilute limit and up to 12 at.% Si, respectively, in the temperature range 350-700 K. Local Si neighborhood dependent activation energies for vacancy hops were calculated on-the-fly using a broken-bond model based on pairwise interaction. The migration barrier and prefactor for the Si diffusion in the dilute limit were obtained and found to agree with published data within the limits of uncertainty. Simulations results show that the prefactor and the migration barrier for the Si diffusion are approximately an order of magnitude higher, and a tenth of an electron-volt higher, respectively, in the magnetic disordered state than in the fully ordered state. However, the net result is that magnetic disorder does not have a significant effect on Si diffusivity within the range of parameters studied in this work. Nevertheless, with increasing temperature, the magnetic disorder increases and its effect on the Si diffusivity also increases. In the case of vacancy diffusion, with increasing Si concentration, its diffusion prefactor decreases while the migration barrier more or less remained constant and the effect of magnetic disorder increases with Si concentration. Important vacancy-Si/Fe atom exchange processes and their activation barriers were identified, and the effect of energetics on ordered phase formation in Fe-Si alloys are discussed.

Experimental analysis of bruises in human volunteers using radiometric depth profiling and diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Vidovič, Luka; Milanič, Matija; Majaron, Boris

2015-07-01

We combine pulsed photothermal radiometry (PPTR) depth profiling with diffuse reflectance spectroscopy (DRS) measurements for a comprehensive analysis of bruise evolution in vivo. While PPTR enables extraction of detailed depth distribution and concentration profiles of selected absorbers (e.g. melanin, hemoglobin), DRS provides information in a wide range of visible wavelengths and thus offers an additional insight into dynamics of the hemoglobin degradation products. Combining the two approaches enables us to quantitatively characterize bruise evolution dynamics. Our results indicate temporal variations of the bruise evolution parameters in the course of bruise self-healing process. The obtained parameter values and trends represent a basis for a future development of an objective technique for bruise age determination.

Advances in self-healing materials based on vascular networks with mechanical self-repair characteristics.

PubMed

Lee, Min Wook; An, Seongpil; Yoon, Sam S; Yarin, Alexander L

2018-02-01

Here, we review the state-of-the-art in the field of engineered self-healing materials. These materials mimic the functionalities of various natural materials found in the human body (e.g., the healing of skin and bones by the vascular system). The fabrication methods used to produce these "vascular-system-like" engineered self-healing materials, such as electrospinning (including co-electrospinning and emulsion spinning) and solution blowing (including coaxial solution blowing and emulsion blowing) are discussed in detail. Further, a few other approaches involving the use of hollow fibers are also described. In addition, various currently used healing materials/agents, such as dicyclopentadiene and Grubbs' catalyst, poly(dimethyl siloxane), and bisphenol-A-based epoxy, are described. We also review the characterization methods employed to verify the physical and chemical aspects of self-healing, that is, the methods used to confirm that the healing agent has been released and that it has resulted in healing, as well as the morphological changes induced in the damaged material by the healing agent. These characterization methods include different visualization and spectroscopy techniques and thermal analysis methods. Special attention is paid to the characterization of the mechanical consequences of self-healing. The effects of self-healing on the mechanical properties such as stiffness and adhesion of the damaged material are evaluated using the tensile test, double cantilever beam test, plane strip test, bending test, and adhesion test (e.g., blister test). Finally, the future direction of the development of these systems is discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Sunlight-induced self-healing of a microcapsule-type protective coating.

PubMed

Song, Young-Kyu; Jo, Ye-Hyun; Lim, Ye-Ji; Cho, Sung-Youl; Yu, Hwan-Chul; Ryu, Byung-Cheol; Lee, Sang-In; Chung, Chan-Moon

2013-02-01

Photopolymerization behavior of a methacryloxypropyl-terminated polydimethylsiloxane (MAT-PDMS) healing agent was investigated in the presence of benzoin isobutyl ether (BIE) photoinitiator by Fourier transform infrared (FT-IR) spectroscopy. MAT-PDMS and BIE were microencapsulated with urea-formaldehyde polymer. The surface and shell morphology of the microcapsules was investigated by scanning electron microscopy (SEM). Mean diameter and size distribution of the microcapsules could be controlled by agitation rate. A coating matrix formulation was prepared by sol-gel reaction of tetraethyl orthosilicate (TEOS) in the presence of a polysiloxane and by subsequent addition of an adhesion promoter. The formulation and microcapsules were mixed to give a self-healing coating formulation, which was then sprayed to surface of cellulose-fiber-reinforced-cement (CRC) board or mortar. Contact angle measurements showed that both the polymerized MAT-PDMS and the prepared coating matrix are hydrophobic, and the coating matrix has good wettability with MAT-PDMS. It was confirmed by optical microscopy and SEM that, when the self-healing coating is damaged, the healing agent is released from ruptured microcapsules and fills the damaged region. The self-healing coating was evaluated as protective coating for mortar, and it was demonstrated by water permeability and chloride ion penetration tests that our system has sunlight-induced self-healing capability. Our self-healing coating is the first example of capsule-type photoinduced self-healing system, and offers the advantages of catalyst-free, environmentally friendly, inexpensive, practical healing.

Self Healing Coating/Film Project

NASA Technical Reports Server (NTRS)

Summerfield, Burton; Thompson, Karen; Zeitlin, Nancy; Mullenix, Pamela; Calle, Luz; Williams, Martha

2015-01-01

Kennedy Space Center (KSC) has been developing self healing materials and technologies. This project seeks to further develop self healing functionality in thin films for applications such as corrosion protective coatings, inflatable structures, space suit materials, and electrical wire insulation.

Self Healing Percolation

NASA Astrophysics Data System (ADS)

Scala, Antonio

2015-03-01

We introduce the concept of self-healing in the field of complex networks modelling; in particular, self-healing capabilities are implemented through distributed communication protocols that exploit redundant links to recover the connectivity of the system. Self-healing is a crucial in implementing the next generation of smart grids allowing to ensure a high quality of service to the users. We then map our self-healing procedure in a percolation problem and analyse the interplay between redundancies and topology in improving the resilience of networked infrastructures to multiple failures. We find exact results both for planar lattices and for random lattices, hinting the role of duality in the design of resilient networks. Finally, we introduce a cavity method approach to study the recovery of connectivity after damage in self-healing networks. CNR-PNR National Project ``Crisis-Lab,'' EU HOME/2013/CIPS/AG/4000005013 project CI2C and EU FET project MULTIPLEX nr.317532.

Prevalence of the use of homeopathy by the population of Montes Claros, Minas Gerais, Brazil.

PubMed

Rodrigues-Neto, João Felício; Figueiredo, Maria Fernanda Santos; Faria, Anderson Antônio de

2009-11-01

Homeopathy is a therapeutic system that uses small doses of substances to stimulate autoregulatory and self-healing processes. The aim of this study was to investigate the prevalence of the use of homeopathy by the population of Montes Claros, Brazil, and the socioeconomic profile of users. Probabilistic cross-sectional study with cluster sampling, in the city of Montes Claros, Minas Gerais. This study was conducted by applying semi-structured questionnaires. The sample was composed of 3,080 people. For the statistical analysis, Student's t test and the chi-square test were used. The statistical significance level used was P < 0.05. We interviewed 3,090 people. The prevalence of the use of homeopathy was 2.4%. The factors associated with its use were female gender, schooling and income. The main reason that led to seeking homeopathy was "Conventional treatment did not have any effect". For 70.2% of the users, the cost of the treatment was considered reasonable or cheap. About 73% were satisfied or very satisfied with the treatment received through homeopathy. The prevalence of the use of homeopathy found here was less than that reported in other countries. People with higher income and schooling levels used homeopathy more frequently. There was higher prevalence among women. Most users declared themselves satisfied with the treatment received.

Antibacterial anti-oxidant electroactive injectable hydrogel as self-healing wound dressing with hemostasis and adhesiveness for cutaneous wound healing.

PubMed

Zhao, Xin; Wu, Hao; Guo, Baolin; Dong, Ruonan; Qiu, Yusheng; Ma, Peter X

2017-04-01

Injectable self-healing hydrogel dressing with multifunctional properties including anti-infection, anti-oxidative and conductivity promoting wound healing process will be highly desired in wound healing application and its design is still a challenge. We developed a series of injectable conductive self-healed hydrogels based on quaternized chitosan-g-polyaniline (QCSP) and benzaldehyde group functionalized poly(ethylene glycol)-co-poly(glycerol sebacate) (PEGS-FA) as antibacterial, anti-oxidant and electroactive dressing for cutaneous wound healing. These hydrogels presented good self-healing, electroactivity, free radical scavenging capacity, antibacterial activity, adhesiveness, conductivity, swelling ratio, and biocompatibility. Interestingly, the hydrogel with an optimal crosslinker concentration of 1.5 wt% PEGS-FA showed excellent in vivo blood clotting capacity, and it significantly enhanced in vivo wound healing process in a full-thickness skin defect model than quaternized chitosan/PEGS-FA hydrogel and commercial dressing (Tegaderm™ film) by upregulating the gene expression of growth factors including VEGF, EGF and TGF-β and then promoting granulation tissue thickness and collagen deposition. Taken together, the antibacterial electroactive injectable hydrogel dressing prolonged the lifespan of dressing relying on self-healing ability and significantly promoted the in vivo wound healing process attributed to its multifunctional properties, meaning that they are excellent candidates for full-thickness skin wound healing. Copyright © 2017 Elsevier Ltd. All rights reserved.

Objective characterization of bruise evolution using photothermal depth profiling and Monte Carlo modeling

NASA Astrophysics Data System (ADS)

Vidovič, Luka; Milanič, Matija; Majaron, Boris

2015-01-01

Pulsed photothermal radiometry (PPTR) allows noninvasive determination of laser-induced temperature depth profiles in optically scattering layered structures. The obtained profiles provide information on spatial distribution of selected chromophores such as melanin and hemoglobin in human skin. We apply the described approach to study time evolution of incidental bruises (hematomas) in human subjects. By combining numerical simulations of laser energy deposition in bruised skin with objective fitting of the predicted and measured PPTR signals, we can quantitatively characterize the key processes involved in bruise evolution (i.e., hemoglobin mass diffusion and biochemical decomposition). Simultaneous analysis of PPTR signals obtained at various times post injury provides an insight into the variations of these parameters during the bruise healing process. The presented methodology and results advance our understanding of the bruise evolution and represent an important step toward development of an objective technique for age determination of traumatic bruises in forensic medicine.

Liquid-Like, Self-Healing Aluminum Oxide during Deformation at Room Temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yang; Kushima, Akihiro; Han, Weizhong

Effective protection from environmental degradation relies on the integrity of oxide as diffusion barriers. Ideally, the passivation layer can repair its own breaches quickly under deformation. While studies suggest that the native aluminum oxide may manifest such properties, it has yet to be experimentally proven because direct observations of the air-environmental deformation of aluminum oxide and its initial formation at room temperature are challenging. In this letter, we report in situ experiments to stretch pure aluminum nanotips under O 2 gas environments in a transmission electron microscope (TEM). We discovered that aluminum oxide indeed deforms like liquid and can matchmore » the deformation of Al without any cracks/spallation at moderate strain rate. At higher strain rate, we exposed fresh metal surface, and visualized the self-healing process of aluminum oxide at atomic resolution. Unlike traditional thin-film growth or nanoglass consolidation processes, we observe seamless coalescence of new oxide islands without forming any glass–glass interface or surface grooves, indicating greatly accelerated glass kinetics at the surface compared to the bulk.« less

Liquid-Like, Self-Healing Aluminum Oxide during Deformation at Room Temperature

DOE PAGES

Yang, Yang; Kushima, Akihiro; Han, Weizhong; ...

2018-02-28

Effective protection from environmental degradation relies on the integrity of oxide as diffusion barriers. Ideally, the passivation layer can repair its own breaches quickly under deformation. While studies suggest that the native aluminum oxide may manifest such properties, it has yet to be experimentally proven because direct observations of the air-environmental deformation of aluminum oxide and its initial formation at room temperature are challenging. In this letter, we report in situ experiments to stretch pure aluminum nanotips under O 2 gas environments in a transmission electron microscope (TEM). We discovered that aluminum oxide indeed deforms like liquid and can matchmore » the deformation of Al without any cracks/spallation at moderate strain rate. At higher strain rate, we exposed fresh metal surface, and visualized the self-healing process of aluminum oxide at atomic resolution. Unlike traditional thin-film growth or nanoglass consolidation processes, we observe seamless coalescence of new oxide islands without forming any glass–glass interface or surface grooves, indicating greatly accelerated glass kinetics at the surface compared to the bulk.« less

Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms

DOE PAGES

LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; ...

2015-12-14

Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification ofmore » uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.« less

An intrinsically self-healing NiCo//Zn rechargeable battery by self-healable ferric-ion-crosslinking sodium polyacrylate hydrogel electrolyte.

PubMed

Huang, Yan; Liu, Jie; Wang, Jiaqi; Hu, Mengmeng; Mo, Funian; Liang, Guojin; Zhi, Chunyi

2018-06-15

Self-healing solid-state aqueous rechargeable NiCo//Zn batteries are an essential element of flexible/wearable electronics due to their inherent safety, high energy density and mechanical robustness etc. However, the self-healability of solid-state batteries is only realized by few studies, in which electron/ion-inactive self-healable substrates are utilized. This fundamentally arises from the lack of self-healable electrolytes for solid-state batteries, and therefore, results in low healing efficiency and volume/mass diseconomy. Here we develop an intrinsically self-healing battery by designing a new electrolyte that is intrinsically self-healable. Sodium polyacrylate hydrogel chains are crosslinked by ferric ions to promote dynamic reconstruction of an integral network. These non-covalent crosslinkers can form ionic bonds to reconnect damaged surfaces when the hydrogel is cut off, providing an ultimate solution to the intrinsic self-healability problem of batteries. As a result, our NiCo//Zn battery with this hydrogel electrolyte can be autonomically self-healed with over 87% of capacity retained after 4 cycles of breaking/healing. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Novel Design Approach for Self-Crack-Healing Structural Ceramics with 3D Networks of Healing Activator.

PubMed

Osada, Toshio; Kamoda, Kiichi; Mitome, Masanori; Hara, Toru; Abe, Taichi; Tamagawa, Yuki; Nakao, Wataru; Ohmura, Takahito

2017-12-19

Self-crack-healing by oxidation of a pre-incorporated healing agent is an essential property of high-temperature structural ceramics for components with stringent safety requirements, such as turbine blades in aircraft engines. Here, we report a new approach for a self-healing design containing a 3D network of a healing activator, based on insight gained by clarifying the healing mechanism. We demonstrate that addition of a small amount of an activator, typically doped MnO localised on the fracture path, selected by appropriate thermodynamic calculation significantly accelerates healing by >6,000 times and significantly lowers the required reaction temperature. The activator on the fracture path exhibits rapid fracture-gap filling by generation of mobile supercooled melts, thus enabling efficient oxygen delivery to the healing agent. Furthermore, the activator promotes crystallisation of the melts and forms a mechanically strong healing oxide. We also clarified that the healing mechanism could be divided to the initial oxidation and additional two stages. Based on bone healing, we here named these stages as inflammation, repair, and remodelling stages, respectively. Our design strategy can be applied to develop new lightweight, self-healing ceramics suitable for use in high- or low-pressure turbine blades in aircraft engines.

Diffusion of small Cu islands on the Ni(111) surface: A self-learning kinetic Monte Carlo study

NASA Astrophysics Data System (ADS)

Acharya, Shree Ram; Shah, Syed Islamuddin; Rahman, Talat S.

2017-08-01

We elucidate the diffusion kinetics of a heteroepitaxial system consisting of two-dimensional small (1-8 atoms) Cu islands on the Ni(111) surface at (100-600) K using the Self-Learning Kinetic Monte Carlo (SLKMC-II) method. Study of the statics of the system shows that compact CuN (3≤N≤8) clusters made up of triangular units on fcc occupancy sites are the energetically most stable structures of those clusters. Interestingly, we find a correlation between the height of the activation energy barrier (Ea) and the location of the transition state (TS). The Ea of processes for Cu islands on the Ni(111) surface are in general smaller than those of their counterpart Ni islands on the same surface. We find this difference to correlate with the relative strength of the lateral interaction of the island atoms in the two systems. While our database consists of hundreds of possible processes, we identify and discuss the energetics of those that are the most dominant, or are rate-limiting, or most contributory to the diffusion of the islands. Since the Ea of single- and multi-atom processes that convert compact island shapes into non-compact ones are larger (with a significantly smaller Ea for their reverse processes) than that for the collective (concerted) motion of the island, the later dominate in the system kinetics - except for the cases of the dimer, pentamer and octamer. Short-jump involving one atom, long jump dimer-shearing, and long-jump corner shearing (via a single-atom) are, respectively, the dominating processes in the diffusion of the dimer, pentamer and octamer. Furthermore single-atom corner-rounding are the rate-limiting processes for the pentamer and octamer islands. Comparison of the energetics of selected processes and lateral interactions obtained from semi-empirical interatomic potentials with those from density functional theory show minor quantitative differences and overall qualitative agreement.

Quantifying white matter tract diffusion parameters in the presence of increased extra-fiber cellularity and vasogenic edema

PubMed Central

Chiang, Chia-Wen; Wang, Yong; Sun, Peng; Lin, Tsen-Hsuan; Trinkaus, Kathryn; Cross, Anne H.; Song, Sheng-Kwei

2014-01-01

The effect of extra-fiber structural and pathological components confounding diffusion tensor imaging (DTI) computation was quantitatively investigated using data generated by both Monte-Carlo simulations and tissue phantoms. Increased extent of vasogenic edema, by addition of various amount of gel to fixed normal mouse trigeminal nerves or by increasing non-restricted isotropic diffusion tensor components in Monte-Carlo simulations, significantly decreased fractional anisotropy (FA), increased radial diffusivity, while less significantly increased axial diffusivity derived by DTI. Increased cellularity, mimicked by graded increase of the restricted isotropic diffusion tensor component in Monte-Carlo simulations, significantly decreased FA and axial diffusivity with limited impact on radial diffusivity derived by DTI. The MC simulation and tissue phantom data were also analyzed by the recently developed diffusion basis spectrum imaging (DBSI) to simultaneously distinguish and quantify the axon/myelin integrity and extra-fiber diffusion components. Results showed that increased cellularity or vasogenic edema did not affect the DBSI-derived fiber FA, axial or radial diffusivity. Importantly, the extent of extra-fiber cellularity and edema estimated by DBSI correlated with experimentally added gel and Monte-Carlo simulations. We also examined the feasibility of applying 25-direction diffusion encoding scheme for DBSI analysis on coherent white matter tracts. Results from both phantom experiments and simulations suggested that the 25-direction diffusion scheme provided comparable DBSI estimation of both fiber diffusion parameters and extra-fiber cellularity/edema extent as those by 99-direction scheme. An in vivo 25-direction DBSI analysis was performed on experimental autoimmune encephalomyelitis (EAE, an animal model of human multiple sclerosis) optic nerve as an example to examine the validity of derived DBSI parameters with post-imaging immunohistochemistry verification. Results support that in vivo DBSI using 25-direction diffusion scheme correctly reflect the underlying axonal injury, demyelination, and inflammation of optic nerves in EAE mice. PMID:25017446

Developing Flexible, High Performance Polymers with Self-Healing Capabilities

NASA Technical Reports Server (NTRS)

Jolley, Scott T.; Williams, Martha K.; Gibson, Tracy L.; Caraccio, Anne J.

2011-01-01

Flexible, high performance polymers such as polyimides are often employed in aerospace applications. They typically find uses in areas where improved physical characteristics such as fire resistance, long term thermal stability, and solvent resistance are required. It is anticipated that such polymers could find uses in future long duration exploration missions as well. Their use would be even more advantageous if self-healing capability or mechanisms could be incorporated into these polymers. Such innovative approaches are currently being studied at the NASA Kennedy Space Center for use in high performance wiring systems or inflatable and habitation structures. Self-healing or self-sealing capability would significantly reduce maintenance requirements, and increase the safety and reliability performance of the systems into which these polymers would be incorporated. Many unique challenges need to be overcome in order to incorporate a self-healing mechanism into flexible, high performance polymers. Significant research into the incorporation of a self-healing mechanism into structural composites has been carried out over the past decade by a number of groups, notable among them being the University of I1linois [I]. Various mechanisms for the introduction of self-healing have been investigated. Examples of these are: 1) Microcapsule-based healant delivery. 2) Vascular network delivery. 3) Damage induced triggering of latent substrate properties. Successful self-healing has been demonstrated in structural epoxy systems with almost complete reestablishment of composite strength being achieved through the use of microcapsulation technology. However, the incorporation of a self-healing mechanism into a system in which the material is flexible, or a thin film, is much more challenging. In the case of using microencapsulation, healant core content must be small enough to reside in films less than 0.1 millimeters thick, and must overcome significant capillary and surface tension forces to flow, mix and react to achieve healing. Vascular networks small enough to fit into such films must also overcome these same flow limitations. Self-healing has also been demonstrated in ionomeric substrates such as Surlyn , wherein the heat generated by a projectile impact triggers the latent ability of this substrate to flow back to its original shape. Recent work using Diels-Alder reactions have shown promise in bringing about actual reforming of broken chemical bonds to achieve self-healing [2]. All self-healing mechanisms that rely on the use of inherent latent substrate properties require some degree of polymer chain flow to achieve any significant level of healing.

Development of novel self-healing and antibacterial dental composite containing calcium phosphate nanoparticles

PubMed Central

Wu, Junling; Weir, Michael D.; Melo, Mary Anne S.; Xu, Hockin H. K.

2015-01-01

Objectives Fracture and secondary caries are the primary reasons for dental restoration failure. The objective of this study was to develop a self-healing composite to heal cracks, while containing dimethylaminohexadecyl methacrylate (DMAHDM) for antibacterial function and nanoparticles of amorphous calcium phosphate (NACP) for remineralization. Methods Microcapsules were synthesized with poly(urea-formaldehyde) (PUF) shells containing triethylene glycol dimethacrylate (TEGDMA) and N,N-dihydroxyethyl-p-toluidine (DHEPT) as healing liquid. Composite contained 20 mass% of NACP and 35% glass fillers. In addition, composite contained 0%, 2.5%, 5%, 7.5%, or 10% of microcapsules. A single edge V-notched beam method measured fracture toughness (KIC) and self-healing efficiency. A dental plaque microcosm biofilm model was used to test the antibacterial properties. Results Incorporation of microcapsules up to 7.5% into the composite did not adversely affect the mechanical properties (p > 0.1). Successful self-healing was achieved, with KIC recovery of 65–81% (mean ± sd; n = 6) to regain the load-bearing capability after composite fracture. The self-healing DMAHDM-NACP composite displayed a strong antibacterial potency, inhibiting biofilm viability and lactic acid production, and reducing colony-forming units by 3–4 orders of magnitude, compared to control composite without DMAHDM. Conclusions A dental composite was developed with triple benefits of self-healing after fracture, antibacterial activity, and remineralization capability for the first time. Clinical significance The self-healing, antibacterial and remineralizing composite may be promising for tooth cavity restorations to combat bulk fracture and secondary caries. The method of using triple agents (self-healing microcapsules, DMAHDM, and NACP) may have wide applicability to other dental composites, adhesives, sealants and cements. PMID:25625674

Rapid self-healing hydrogels

PubMed Central

Phadke, Ameya; Zhang, Chao; Arman, Bedri; Hsu, Cheng-Chih; Mashelkar, Raghunath A.; Lele, Ashish K.; Tauber, Michael J.; Arya, Gaurav; Varghese, Shyni

2012-01-01

Synthetic materials that are capable of autonomous healing upon damage are being developed at a rapid pace because of their many potential applications. Despite these advancements, achieving self-healing in permanently cross-linked hydrogels has remained elusive because of the presence of water and irreversible cross-links. Here, we demonstrate that permanently cross-linked hydrogels can be engineered to exhibit self-healing in an aqueous environment. We achieve this feature by arming the hydrogel network with flexible-pendant side chains carrying an optimal balance of hydrophilic and hydrophobic moieties that allows the side chains to mediate hydrogen bonds across the hydrogel interfaces with minimal steric hindrance and hydrophobic collapse. The self-healing reported here is rapid, occurring within seconds of the insertion of a crack into the hydrogel or juxtaposition of two separate hydrogel pieces. The healing is reversible and can be switched on and off via changes in pH, allowing external control over the healing process. Moreover, the hydrogels can sustain multiple cycles of healing and separation without compromising their mechanical properties and healing kinetics. Beyond revealing how secondary interactions could be harnessed to introduce new functions to chemically cross-linked polymeric systems, we also demonstrate various potential applications of such easy-to-synthesize, smart, self-healing hydrogels. PMID:22392977

Theoretical prediction and atomic kinetic Monte Carlo simulations of void superlattice self-organization under irradiation.

PubMed

Gao, Yipeng; Zhang, Yongfeng; Schwen, Daniel; Jiang, Chao; Sun, Cheng; Gan, Jian; Bai, Xian-Ming

2018-04-26

Nano-structured superlattices may have novel physical properties and irradiation is a powerful mean to drive their self-organization. However, the formation mechanism of superlattice under irradiation is still open for debate. Here we use atomic kinetic Monte Carlo simulations in conjunction with a theoretical analysis to understand and predict the self-organization of nano-void superlattices under irradiation, which have been observed in various types of materials for more than 40 years but yet to be well understood. The superlattice is found to be a result of spontaneous precipitation of voids from the matrix, a process similar to phase separation in regular solid solution, with the symmetry dictated by anisotropic materials properties such as one-dimensional interstitial atom diffusion. This discovery challenges the widely accepted empirical rule of the coherency between the superlattice and host matrix crystal lattice. The atomic scale perspective has enabled a new theoretical analysis to successfully predict the superlattice parameters, which are in good agreement with independent experiments. The theory developed in this work can provide guidelines for designing target experiments to tailor desired microstructure under irradiation. It may also be generalized for situations beyond irradiation, such as spontaneous phase separation with reaction.

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon

PubMed Central

2015-01-01

We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO2 and CH4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO2 and CH4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2–3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH4 in the nanostructure of SiC-DC. PMID:24932319

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon.

PubMed

Farmahini, Amir H; Shahtalebi, Ali; Jobic, Hervé; Bhatia, Suresh K

2014-06-05

We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO 2 and CH 4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO 2 and CH 4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2-3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH 4 in the nanostructure of SiC-DC.

Microcapsule-Type Self-Healing Protective Coating for Cementitious Composites with Secondary Crack Preventing Ability.

PubMed

Kim, Dong-Min; Yu, Hwan-Chul; Yang, Hye-In; Cho, Yu-Jin; Lee, Kwang-Myong; Chung, Chan-Moon

2017-01-26

A microcapsule-type self-healing protective coating with secondary crack preventing capability has been developed using a silanol-terminated polydimethylsiloxane (STP)/dibutyltin dilaurate (DD) healing agent. STP undergoes condensation reaction in the presence of DD to give a viscoelastic substance. STP- and DD-containing microcapsules were prepared by in-situ polymerization and interfacial polymerization methods, respectively. The microcapsules were characterized by Fourier-transform infrared (FT-IR) spectroscopy, optical microscopy, and scanning electron microscopy (SEM). The microcapsules were integrated into commercial enamel paint or epoxy coating formulations, which were applied on silicon wafers, steel panels, and mortar specimens to make dual-capsule self-healing protective coatings. When the STP/DD-based coating was scratched, self-healing of the damaged region occurred, which was demonstrated by SEM, electrochemical test, and water permeability test. It was also confirmed that secondary crack did not occur in the healed region upon application of vigorous vibration to the self-healing coating.

Microcapsule-Type Self-Healing Protective Coating for Cementitious Composites with Secondary Crack Preventing Ability

PubMed Central

Kim, Dong-Min; Yu, Hwan-Chul; Yang, Hye-In; Cho, Yu-Jin; Lee, Kwang-Myong; Chung, Chan-Moon

2017-01-01

A microcapsule-type self-healing protective coating with secondary crack preventing capability has been developed using a silanol-terminated polydimethylsiloxane (STP)/dibutyltin dilaurate (DD) healing agent. STP undergoes condensation reaction in the presence of DD to give a viscoelastic substance. STP- and DD-containing microcapsules were prepared by in-situ polymerization and interfacial polymerization methods, respectively. The microcapsules were characterized by Fourier-transform infrared (FT-IR) spectroscopy, optical microscopy, and scanning electron microscopy (SEM). The microcapsules were integrated into commercial enamel paint or epoxy coating formulations, which were applied on silicon wafers, steel panels, and mortar specimens to make dual-capsule self-healing protective coatings. When the STP/DD-based coating was scratched, self-healing of the damaged region occurred, which was demonstrated by SEM, electrochemical test, and water permeability test. It was also confirmed that secondary crack did not occur in the healed region upon application of vigorous vibration to the self-healing coating. PMID:28772475

Self-healing composites and applications thereof

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tee, Chee Keong; Wang, Chao; Cui, Yi

A battery electrode includes an electrochemically active material and a binder covering the electrochemically active material. The binder includes a self-healing polymer and conductive additives dispersed in the self-healing polymer to provide an electrical pathway across at least a portion of the binder.

Research of the self-healing technologies in the optical communication network of distribution automation

NASA Astrophysics Data System (ADS)

Wang, Hao; Zhong, Guoxin

2018-03-01

Optical communication network is the mainstream technique of the communication networks for distribution automation, and self-healing technologies can improve the in reliability of the optical communication networks significantly. This paper discussed the technical characteristics and application scenarios of several network self-healing technologies in the access layer, the backbone layer and the core layer of the optical communication networks for distribution automation. On the base of the contrastive analysis, this paper gives an application suggestion of these self-healing technologies.

Defence Applications

DTIC Science & Technology

2007-03-01

nano-energetics and new types of catalysts), reduced cost of maintenance (for example through wear reduction, self - healing and self -repair), enhanced...materials • Self - healing ( self -repair) material • Smart skin materials • Adaptive camouflage • Adaptive structures Defence Applications 6 - 2 RTO-EN...type of atom or a single molecule to a site at which it might be required. Smart drug delivery and self - healing follows on from such a capability

Monitoring of self-healing composites: a nonlinear ultrasound approach

NASA Astrophysics Data System (ADS)

Malfense Fierro, Gian-Piero; Pinto, Fulvio; Dello Iacono, Stefania; Martone, Alfonso; Amendola, Eugenio; Meo, Michele

2017-11-01

Self-healing composites using a thermally mendable polymer, based on Diels-Alder reaction were fabricated and subjected to various multiple damage loads. Unlike traditional destructive methods, this work presents a nonlinear ultrasound technique to evaluate the structural recovery of the proposed self-healing laminate structures. The results were compared to computer tomography and linear ultrasound methods. The laminates were subjected to multiple loading and healing cycles and the induced damage and recovery at each stage was evaluated. The results highlight the benefit and added advantage of using a nonlinear based methodology to monitor the structural recovery of reversibly cross-linked epoxy with efficient recycling and multiple self-healing capability.

Self-healing cable apparatus and methods

NASA Technical Reports Server (NTRS)

Huston, Dryver (Inventor); Esser, Brian (Inventor)

2007-01-01

Self-healing cable apparatus and methods are disclosed. The cable has a central core surrounded by an adaptive cover that can extend over the entire length of the cable or just one or more portions of the cable. The adaptive cover includes a protective layer having an initial damage resistance, and a reactive layer. When the cable is subjected to a localized damaging force, the reactive layer responds by creating a corresponding localized self-healed region. The self-healed region provides the cable with enhanced damage resistance as compared to the cable's initial damage resistance. Embodiments of the invention utilize conventional epoxies or foaming materials in the reactive layer that are released to form the self-healed region when the damaging force reaches the reactive layer.

Bioinspired self-healing of advanced composite structures using hollow glass fibres.

PubMed

Trask, R S; Williams, G J; Bond, I P

2007-04-22

Self-healing is receiving an increasing amount of worldwide interest as a method to autonomously address damage in materials. The incorporation of a self-healing capability within fibre-reinforced polymers has been investigated by a number of workers previously. The use of functional repair components stored inside hollow glass fibres (HGF) is one such bioinspired approach being considered. This paper considers the placement of self-healing HGF plies within both glass fibre/epoxy and carbon fibre/epoxy laminates to mitigate damage occurrence and restore mechanical strength. The study investigates the effect of embedded HGF on the host laminates mechanical properties and also the healing efficiency of the laminates after they were subjected to quasi-static impact damage. The results of flexural testing have shown that a significant fraction of flexural strength can be restored by the self-repairing effect of a healing resin stored within hollow fibres.

Self Healing Composite for Aircraft's Structural Application

NASA Astrophysics Data System (ADS)

Teoh, S. H.; Chia, H. Y.; Lee, M. S.; Nasyitah, A. J. N.; Luqman, H. B. S. M.; Nurhidayah, S.; Tan, Willy. C. K.

When one cuts himself, it is amazing to watch how quickly the body acts to mend the wound. Immediately, the body works to pull the skin around the cut back together. The concept of repair by bleeding of enclosed functional agents serves as the biomimetic inspiration of synthetic self repair systems. Such synthetic self repair systems are based on advancement in polymeric materials; the process of human thrombosis is the inspiration for the application of self healing fibres within the composite materials. Results based on flexural 3 point bend test on the prepared samples have shown that the doubled layer healed hollow fibre laminate subjected to a healing regime of 3 weeks has a healed strength increase of 27% compared to the damaged baseline laminate. These results gave us confidence that there is a great potential to adopt such self healing mechanism on actual composite parts like in aircraft's composite structures.

Multifunctional Nanocomposites for Improved Sustainability and Protection of Facilities

DTIC Science & Technology

2015-05-01

ballistic panels. In addition, the team’s work tested various options for adding self - healing , CNT reinforcement, EMI shielding, and self ...and functional- ization methods; introducing a self - healing agent directly to the matrix or contained in embedded hollow glass fibers; using layers...using CNT sheet reinforcement ...................... 23 5 Ballistic Testing of Self - Healing GFRP Panel

Self-healing juvenile cutaneous mucinosis: cases highlighting subcutaneous/fascial involvement.

PubMed

Nagaraj, Lavanya V; Fangman, William; White, Wain L; Woosley, John T; Prose, Neil; Selim, M Angelica; Morrell, Dean S

2006-12-01

Self-healing juvenile cutaneous mucinosis is a rare disease affecting young people characterized by transient cutaneous lesions and sometimes mild inflammatory symptoms. The deep dermal and subcutaneous features of this disorder have not yet been well described. The purpose of our study was to present 3 cases of self-healing juvenile cutaneous mucinosis in which the histopathologic features caused diagnostic confusion between this disorder and proliferative fasciitis. The study includes clinical and histologic findings of 3 patients, complemented by a literature review. The histologic descriptions of nodular lesions in self-healing juvenile cutaneous mucinosis reveal features of proliferative fasciitis, including a myxoid stroma and gangliocyte-like giant cells. Self-healing juvenile cutaneous mucinosis is a rare condition and has not been frequently reported in medical literature. Our findings are based on the pathologic features of 3 patients. Our findings further elucidate the histologic features of self-healing juvenile cutaneous mucinosis and expand the differential diagnosis for entities in which gangliocyte-like giant cells are noted.

Tough and Water-Insensitive Self-Healing Elastomer for Robust Electronic Skin.

PubMed

Kang, Jiheong; Son, Donghee; Wang, Ging-Ji Nathan; Liu, Yuxin; Lopez, Jeffrey; Kim, Yeongin; Oh, Jin Young; Katsumata, Toru; Mun, Jaewan; Lee, Yeongjun; Jin, Lihua; Tok, Jeffrey B-H; Bao, Zhenan

2018-03-01

An electronic (e-) skin is expected to experience significant wear and tear over time. Therefore, self-healing stretchable materials that are simultaneously soft and with high fracture energy, that is high tolerance of damage or small cracks without propagating, are essential requirements for the realization of robust e-skin. However, previously reported elastomers and especially self-healing polymers are mostly viscoelastic and lack high mechanical toughness. Here, a new class of polymeric material crosslinked through rationally designed multistrength hydrogen bonding interactions is reported. The resultant supramolecular network in polymer film realizes exceptional mechanical properties such as notch-insensitive high stretchability (1200%), high toughness of 12 000 J m -2 , and autonomous self-healing even in artificial sweat. The tough self-healing materials enable the wafer-scale fabrication of robust and stretchable self-healing e-skin devices, which will provide new directions for future soft robotics and skin prosthetics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Layer-by-Layer Assembly of a Self-Healing Anticorrosion Coating on Magnesium Alloys.

PubMed

Fan, Fan; Zhou, Chunyu; Wang, Xu; Szpunar, Jerzy

2015-12-16

Fabrication of self-healing anticorrosion coatings has attracted attention as it has the ability to extend the service life and prevent the substrate from corrosive attack. However, a coating system with a rapid self-healing ability and an improved corrosion resistance is rarely reported. In this work, we developed a self-healing anticorrosion coating on a magnesium alloy (AZ31). The coating comprises a cerium-based conversion layer, a graphene oxide layer, and a branched poly(ethylene imine) (PEI)/poly(acrylic acid) (PAA) multilayer. We incorporated the graphene oxide as corrosion inhibitors and used the PEI/PAA multilayers to provide the self-healing ability to the coating systems. X-ray diffraction (XRD) and Raman spectroscopy were used to characterize the composition of the multilayers, and scanning electron microscopy (SEM) was used to analyze the surface morphology. The electrochemical impedance spectroscopy (EIS) results illustrate the improved corrosion resistance of the coating. The proposed coating also has a rapid self-healing ability in the presence of water.

Investigation of the Self-Healing Behavior of Sn-Bi Metal Matrix Composite Reinforced with NiTi Shape Memory Alloy Strips Under Flexural Loading

NASA Astrophysics Data System (ADS)

Poormir, Mohammad Amin; Khalili, Seyed Mohammad Reza; Eslami-Farsani, Reza

2018-03-01

Utilizing intelligent materials such as shape memory alloys as reinforcement in metal matrix composites is a novel method to mimic self-healing behavior. In this study, the bending behavior of a self-healing metal matrix composite made from Sn-13 wt.% Bi alloy as matrix and NiTi shape memory alloy (SMA) strips as reinforcement is investigated. Specimens were fabricated in different reinforcement vol.% (0.78, 1.55, 2.33) and in various pre-strains (0, 2, 6%) and were healed at three healing temperatures (170°C, 180°C, 190°C). Results showed that shape recovery was accomplished in all the specimens, but not all of them were able to withstand second loading after healing. Only specimens with 2.33 vol.% of SMA strips, 1.55 vol.% of SMA, and 6% pre-strain could endure bending force after healing, and they gained 35.31-51.83% of bending force self-healing efficiency.

Investigation of the Self-Healing Behavior of Sn-Bi Metal Matrix Composite Reinforced with NiTi Shape Memory Alloy Strips Under Flexural Loading

NASA Astrophysics Data System (ADS)

Poormir, Mohammad Amin; Khalili, Seyed Mohammad Reza; Eslami-Farsani, Reza

2018-06-01

Utilizing intelligent materials such as shape memory alloys as reinforcement in metal matrix composites is a novel method to mimic self-healing behavior. In this study, the bending behavior of a self-healing metal matrix composite made from Sn-13 wt.% Bi alloy as matrix and NiTi shape memory alloy (SMA) strips as reinforcement is investigated. Specimens were fabricated in different reinforcement vol.% (0.78, 1.55, 2.33) and in various pre-strains (0, 2, 6%) and were healed at three healing temperatures (170°C, 180°C, 190°C). Results showed that shape recovery was accomplished in all the specimens, but not all of them were able to withstand second loading after healing. Only specimens with 2.33 vol.% of SMA strips, 1.55 vol.% of SMA, and 6% pre-strain could endure bending force after healing, and they gained 35.31-51.83% of bending force self-healing efficiency.

Kinetic Monte Carlo Simulation of Cation Diffusion in Low-K Ceramics

NASA Technical Reports Server (NTRS)

Good, Brian

2013-01-01

Low thermal conductivity (low-K) ceramic materials are of interest to the aerospace community for use as the thermal barrier component of coating systems for turbine engine components. In particular, zirconia-based materials exhibit both low thermal conductivity and structural stability at high temperature, making them suitable for such applications. Because creep is one of the potential failure modes, and because diffusion is a mechanism by which creep takes place, we have performed computer simulations of cation diffusion in a variety of zirconia-based low-K materials. The kinetic Monte Carlo simulation method is an alternative to the more widely known molecular dynamics (MD) method. It is designed to study "infrequent-event" processes, such as diffusion, for which MD simulation can be highly inefficient. We describe the results of kinetic Monte Carlo computer simulations of cation diffusion in several zirconia-based materials, specifically, zirconia doped with Y, Gd, Nb and Yb. Diffusion paths are identified, and migration energy barriers are obtained from density functional calculations and from the literature. We present results on the temperature dependence of the diffusivity, and on the effects of the presence of oxygen vacancies in cation diffusion barrier complexes as well.

Self-healing of damage in fibre-reinforced polymer-matrix composites.

PubMed

Hayes, S A; Zhang, W; Branthwaite, M; Jones, F R

2007-04-22

Self-healing resin systems have been discussed for over a decade and four different technologies had been proposed. However, little work on their application as composite matrices has been published although this was one of the stated aims of the earliest work in the field. This paper reports on the optimization of a solid-state self-healing resin system and its subsequent use as a matrix for high volume fraction glass fibre-reinforced composites. The resin system was optimized using Charpy impact testing and repeated healing, while the efficiency of healing in composites was determined by analysing the growth of delaminations following repeated impacts with or without a healing cycle. To act as a reference, a non-healing resin system was subjected to the same treatments and the results are compared with the healable system. The optimized resin system displays a healing efficiency of 65% after the first healing cycle, dropping to 35 and 30% after the second and third healing cycles, respectively. Correction for any healability due to further curing showed that approximately 50% healing efficiency could be achieved with the bisphenol A-based epoxy resin containing 7.5% of polybisphenol-A-co-epichlorohydrin. The composite, on the other hand, displays a healing efficiency of approximately 30%. It is therefore clear that the solid-state self-healing system is capable of healing transverse cracks and delaminations in a composite, but that more work is needed to optimize matrix healing within a composite and to develop a methodology for assessing recovery in performance.

Fracture healing in a magma: An experimental approach and implications for volcanic seismicity and degassing

NASA Astrophysics Data System (ADS)

Yoshimura, Shumpei; Nakamura, Michihiko

2010-09-01

The healing of magmatic fractures is considered essential to repetitive seismicity and the closure of degassing paths during emplacement of lavas. To estimate the healing time of magmatic fractures, we performed healing experiments on rhyolitic melts at 850°-1000°C and 1.6-3.2 MPa for 0.5-94 h. Two cylindrical obsidian cores were juxtaposed on surfaces prepared by cutting the cores both with and without polishing. These were annealed in an open-system cell. The contact interface became coherent and finally disappeared. The water content across the contact initially decreased toward the interface via diffusive dehydration, but later homogenized. This change was interpreted to reflect atomic-scale closure of the interface, probably by chemical bonding. We defined this closure interval as microscopic healing time and determined this by fitting the measured profiles with a diffusion model. The microscopic healing time was strongly dependent on temperature and roughness of the interface and was, for the nonpolished interfaces, 67-74, 4.0-4.9, and 0.36-0.38 h at 850°, 900°, and 950°C, respectively, whereas for the polished examples it was 1-3 and 0.5-0.6 h at 850° and 900°C, respectively. This microscopic healing time is consistent with the period of actual seismicity and is prolonged sufficiently to permit the formation of millimeter-thick bubble-free obsidian layers along fractures in vesicular lavas through bubble resorption due to diffusive degassing.

FAST TRACK COMMUNICATION: The origin of Bohm diffusion, investigated by a comparison of different modelling methods

NASA Astrophysics Data System (ADS)

Bultinck, E.; Mahieu, S.; Depla, D.; Bogaerts, A.

2010-07-01

'Bohm diffusion' causes the electrons to diffuse perpendicularly to the magnetic field lines. However, its origin is not yet completely understood: low and high frequency electric field fluctuations are both named to cause Bohm diffusion. The importance of including this process in a Monte Carlo (MC) model is demonstrated by comparing calculated ionization rates with particle-in-cell/Monte Carlo collisions (PIC/MCC) simulations. A good agreement is found with a Bohm diffusion parameter of 0.05, which corresponds well to experiments. Since the PIC/MCC method accounts for fast electric field fluctuations, we conclude that Bohm diffusion is caused by fast electric field phenomena.

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

NASA Technical Reports Server (NTRS)

Good, Brian

2011-01-01

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

A self-healing PDMS polymer with solvatochromic properties.

PubMed

Jia, Xiao-Yong; Mei, Jin-Feng; Lai, Jian-Cheng; Li, Cheng-Hui; You, Xiao-Zeng

2015-05-28

Coordination bonds are effective for constructing functional self-healing materials due to their tunable bond strength and metal-ion-induced functionalities. In this work, we incorporate a cobalt(II) triazole complex into a polydimethylsiloxane (PDMS) matrix. The resulting polymers show solvatochromic behaviour as well as self-healing properties.

Providing Self-Healing Ability for Wireless Sensor Node by Using Reconfigurable Hardware

PubMed Central

Yuan, Shenfang; Qiu, Lei; Gao, Shang; Tong, Yao; Yang, Weiwei

2012-01-01

Wireless sensor networks (WSNs) have received tremendous attention over the past ten years. In engineering applications of WSNs, a number of sensor nodes are usually spread across some specific geographical area. Some of these nodes have to work in harsh environments. Dependability of the Wireless Sensor Network (WSN) is very important for its successful applications in the engineering area. In ordinary research, when a node has a failure, it is usually discarded and the network is reorganized to ensure the normal operation of the WSN. Using appropriate WSN re-organization methods, though the sensor networks can be reorganized, this causes additional maintenance costs and sometimes still decreases the function of the networks. In those situations where the sensor networks cannot be reorganized, the performance of the whole WSN will surely be degraded. In order to ensure the reliable and low cost operation of WSNs, a method to develop a wireless sensor node with self-healing ability based on reconfigurable hardware is proposed in this paper. Two self-healing WSN node realization paradigms based on reconfigurable hardware are presented, including a redundancy-based self-healing paradigm and a whole FPAA/FPGA based self-healing paradigm. The nodes designed with the self-healing ability can dynamically change their node configurations to repair the nodes' hardware failures. To demonstrate these two paradigms, a strain sensor node is adopted as an illustration to show the concepts. Two strain WSN sensor nodes with self-healing ability are developed respectively according to the proposed self-healing paradigms. Evaluation experiments on self-healing ability and power consumption are performed. Experimental results show that the developed nodes can self-diagnose the failures and recover to a normal state automatically. The research presented can improve the robustness of WSNs and reduce the maintenance cost of WSNs in engineering applications. PMID:23202176

Healing efficiency of epoxy-based materials for structural application

NASA Astrophysics Data System (ADS)

Raimondo, Marialuigia; Guadagno, Liberata

2012-07-01

This paper describes a self-healing composite exhibiting high levels of healing efficiency under working conditions typical of aeronautic applications. The self-healing material is composed of a thermosetting epoxy matrix in which a catalyst of Ring Opening Metathesis Polymerization (ROMP) and nanocapsules are dispersed. The nanocapsules contain a monomer able to polymerize via ROMP. The preliminary results demonstrate an efficient self-repair function which is also active at very low temperatures.

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagnetic α -Fe–Si alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Jiang, Xiujuan; Vemuri, Rama S.

Diffusion in α-Fe-Si alloys is studied using AKSOME, an on-lattice self-learning KMC code, in the ferromagnetic state. Si diffusivity in the α-Fe matrix were obtained with and without the magnetic disorder in various temperature ranges. In addition we studied vacancy diffusivity in ferromagnetic α-Fe at various Si concentrations up to 12.5at.% in the temperature range of 350–550 K. The results were compared with available experimental and theoretical values in the literature. Local Si-atom dependent activation energies for vacancy hops were calculated using a broken-model and were stored in a database. The migration barrier and prefactors for Si-diffusivity were found tomore » be in reasonable agreement with available modeling results in the literature. Magnetic disorder has a larger effect on the prefactor than on the migration barrier. Prefactor was approximately an order of magnitude and the migration barrier a tenth of an electron-volt higher with magnetic disorder when compared to a fully ferromagnetic ordered state. In addition, the correlation between various have a larger effect on the Si-diffusivity extracted in various temperature range than the magnetic disorder. In the case of vacancy diffusivity, the migration barrier more or less remained constant while the prefactor decreased with increasing Si concentration in the disordered or A2-phase of Fe-Si alloy. Important vacancy-Si/Fe atom exchange processes and their activation barriers were also identified and discuss the effect of energetics on the formation of ordered phases in Fe-Si alloys.« less

Autonomic Healing of Low-Velocity Impact Damage in Fiber-Reinforced Composites

DTIC Science & Technology

2010-01-01

formaldehyde) microencapsulation using the method described by Brown et al. [37]. Two different size ranges of microcapsules were employed to promote even...agent. The components for self-healing, urea–formaldehyde microcapsules containing dicyclopentadiene (DCPD) liquid healing agent and paraffin wax...impact damage is the employment of self-healing materials. In particular, the strat- egy using microencapsulated healing agent, demonstrated by White

Synthetic Self-Healing Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bello, Mollie

Given enough time, pressure, temperature fluctuation, and stress any material will fail. Currently, synthesized materials make up a large part of our everyday lives, and are used in a number of important applications such as; space travel, under water devices, precise instrumentation, transportation, and infrastructure. Structural failure of these material scan lead to expensive and dangerous consequences. In an attempt to prolong the life spans of specific materials and reduce efforts put into repairing them, biologically inspired, self-healing systems have been extensively investigated. The current review explores recent advances in three methods of synthesized self-healing: capsule based, vascular, and intrinsic.more » Ideally, self-healing materials require no human intervention to promote healing, are capable of surviving all the steps of polymer processing, and heal the same location repeatedly. Only the vascular method holds up to all of these idealities.« less

Influence of cross-linkers on the cohesive and adhesive self-healing ability of polysulfide-based thermosets.

PubMed

Lafont, U; van Zeijl, H; van der Zwaag, S

2012-11-01

Synthetic systems with intrinsic self-repairing or self-healing abilities have emerged during the past decade. In this work, the influence of the cross-linker and chain rigidity on the healing ability of thermoset rubbers containing disulfide bonds have been investigated. The produced materials exhibit adhesive and cohesive self-healing properties. The recovery of these two functionalities upon the thermally triggered healing events has shown to be highly dependent on the network cross-link density and chain rigidity. As a result, depending on the rubber thermoset intrinsic physical properties, the thermal mending leading to full cohesive recovery can be achieved in 20-300 min at a modest healing temperature of 65 °C. The adhesive strength ranges from 0.2 to 0.5 MPa and is fully recovered even after multiple failure events.

Phase Transformation Induced Self-Healing Behavior of Al-Ag Alloy.

PubMed

Michalcová, Alena; Marek, Ivo; Knaislová, Anna; Sofer, Zdeněk; Vojtěch, Dalibor

2018-01-27

Self-healing alloys are promising materials that can decrease the consequences of accidents. To detect crack formation in a material is simple task that can be performed by e.g., sonic or ultrasound detection, but it is not always possible to immediately replace the damaged parts. In this situation, it is very advantageous to have the chance to heal the crack during operation, which can be done e.g., by annealing. In this paper, self-healing behavior was proven by TEM (Transmission electron microscope) observation of crack healing after annealing. The crack was observed in the rapidly solidified Al-30Ag alloy with non-equilibrium phase composition formed by a minor amount of Ag₂Al and a supersaturated solid solution of Ag in an fcc-Al matrix (fcc = face centered cubic). After annealing at 450 °C, equilibrium phase composition was obtained by forming a higher amount of Ag₂Al. This phase transformation did not allow the crack to be healed. Subsequent annealing at 550 °C caused recrystallization to a supersaturated solid solution of Ag in fcc-Al, followed by a return to the mixture of fcc-Al and Ag₂Al by cooling, and this process was accompanied by the closing of the crack. This observation proved the self-healing possibilities of the Ag₂Al phase. Practical application of this self-healing behavior could be achieved through the dispersion of fine Ag₂Al particles in a structural material, which will enrich the material with self-healing properties.

Novel dental adhesive resin with crack self-healing, antimicrobial and remineralization properties.

PubMed

Yue, Shichao; Wu, Junling; Zhang, Qiang; Zhang, Ke; Weir, Michael D; Imazato, Satoshi; Bai, Yuxing; Xu, Hockin H K

2018-05-18

Secondary caries at the tooth-restoration margins is a primary reason for restoration failure. Cracks at the margins lead to leakage which can trap bacteria, producing acids to cause caries. To date, there has been no report on developing an adhesive resin that has self-healing, antibacterial and remineralizing capabilities. The objectives of this study were to: (1) develop the first self-healing adhesive with antimicrobial and remineralizing capabilities, and (2) investigate the effects of incorporating microcapsules, dimethylaminohexadecyl methacrylate (DMAHDM) and nanoparticles of amorphous calcium phosphate (NACP) for the first time. Self-healing microcapsules were synthesized with poly(urea-formaldehyde) (PUF) shells containing triethylene glycol dimethacrylate (TEGDMA) as the healing liquid. The new adhesive contained 7.5% microcapsules, 10% DMAHDM and 20% NACP. A single edge V-notched beam (SEVNB) method was used to measure the fracture toughness K IC and the autonomous crack-healing efficiency. An oral plaque microcosm biofilm model was tested. The new self-healing, antimicrobial and remineralizing dental adhesive matched the dentin bond strength of a commercial control (p > 0.1). The new adhesive achieved successful crack-healing, with an excellent K IC recovery of 67%. The new adhesive had strong antimicrobial activity, reducing biofilm colony-forming units by four orders of magnitude, and reducing biofilm acid production to 1/100th that of biofilms on the commercial control resin. A self-healing adhesive with antibacterial and remineralizing capabilities was developed for the first time. Excellent dentin bond strength, autonomous crack-healing and K IC recovery, and strong anti-biofilm properties were achieved for the new adhesive resin. The novel method of using triple agents (self-healing microcapsules + DMAHDM + NACP) is promising for applications in dental adhesives, cements, sealants and composites to combat the two main challenges: fracture and secondary caries. Copyright © 2018 Elsevier Ltd. All rights reserved.

Self-Healing Laminate System

NASA Technical Reports Server (NTRS)

Keller, Michael W. (Inventor); White, Scott R. (Inventor); Beiermann, Brett A. (Inventor); Sottos, Nancy R. (Inventor)

2016-01-01

A laminate material may include a first flexible layer, and a self-healing composite layer in contact with the first flexible layer. The composite layer includes an elastomer matrix, a plurality of first capsules including a polymerizer, and a corresponding activator for the polymerizer. The laminate material may self-heal when subjected to a puncture or a tear.

Modeling Self-Healing of Concrete Using Hybrid Genetic Algorithm–Artificial Neural Network

PubMed Central

Ramadan Suleiman, Ahmed; Nehdi, Moncef L.

2017-01-01

This paper presents an approach to predicting the intrinsic self-healing in concrete using a hybrid genetic algorithm–artificial neural network (GA–ANN). A genetic algorithm was implemented in the network as a stochastic optimizing tool for the initial optimal weights and biases. This approach can assist the network in achieving a global optimum and avoid the possibility of the network getting trapped at local optima. The proposed model was trained and validated using an especially built database using various experimental studies retrieved from the open literature. The model inputs include the cement content, water-to-cement ratio (w/c), type and dosage of supplementary cementitious materials, bio-healing materials, and both expansive and crystalline additives. Self-healing indicated by means of crack width is the model output. The results showed that the proposed GA–ANN model is capable of capturing the complex effects of various self-healing agents (e.g., biochemical material, silica-based additive, expansive and crystalline components) on the self-healing performance in cement-based materials. PMID:28772495

Self-healing of early age cracks in cement-based materials by mineralization of carbonic anhydrase microorganism

PubMed Central

Qian, Chunxiang; Chen, Huaicheng; Ren, Lifu; Luo, Mian

2015-01-01

This research investigated the self-healing potential of early age cracks in cement-based materials incorporating the bacteria which can produce carbonic anhydrase. Cement-based materials specimens were pre-cracked at the age of 7, 14, 28, 60 days to study the repair ability influenced by cracking time, the width of cracks were between 0.1 and 1.0 mm to study the healing rate influenced by width of cracks. The experimental results indicated that the bacteria showed excellent repairing ability to small cracks formed at early age of 7 days, cracks below 0.4 mm was almost completely closed. The repair effect reduced with the increasing of cracking age. Cracks width influenced self-healing effectiveness significantly. The transportation of CO2and Ca2+ controlled the self-healing process. The computer simulation analyses revealed the self-healing process and mechanism of microbiologically precipitation induced by bacteria and the depth of precipitated CaCO3 could be predicted base on valid Ca2+. PMID:26583014

Modeling Self-Healing of Concrete Using Hybrid Genetic Algorithm-Artificial Neural Network.

PubMed

Ramadan Suleiman, Ahmed; Nehdi, Moncef L

2017-02-07

This paper presents an approach to predicting the intrinsic self-healing in concrete using a hybrid genetic algorithm-artificial neural network (GA-ANN). A genetic algorithm was implemented in the network as a stochastic optimizing tool for the initial optimal weights and biases. This approach can assist the network in achieving a global optimum and avoid the possibility of the network getting trapped at local optima. The proposed model was trained and validated using an especially built database using various experimental studies retrieved from the open literature. The model inputs include the cement content, water-to-cement ratio (w/c), type and dosage of supplementary cementitious materials, bio-healing materials, and both expansive and crystalline additives. Self-healing indicated by means of crack width is the model output. The results showed that the proposed GA-ANN model is capable of capturing the complex effects of various self-healing agents (e.g., biochemical material, silica-based additive, expansive and crystalline components) on the self-healing performance in cement-based materials.

Self-Healing in Cementitious Materials—A Review

PubMed Central

Van Tittelboom, Kim; De Belie, Nele

2013-01-01

Concrete is very sensitive to crack formation. As wide cracks endanger the durability, repair may be required. However, these repair works raise the life-cycle cost of concrete as they are labor intensive and because the structure becomes in disuse during repair. In 1994, C. Dry was the first who proposed the intentional introduction of self-healing properties in concrete. In the following years, several researchers started to investigate this topic. The goal of this review is to provide an in-depth comparison of the different self-healing approaches which are available today. Among these approaches, some are aimed at improving the natural mechanism of autogenous crack healing, while others are aimed at modifying concrete by embedding capsules with suitable healing agents so that cracks heal in a completely autonomous way after they appear. In this review, special attention is paid to the types of healing agents and capsules used. In addition, the various methodologies have been evaluated based on the trigger mechanism used and attention has been paid to the properties regained due to self-healing. PMID:28809268

Monte Carlo simulation of the back-diffusion of electrons in nitrogen

NASA Astrophysics Data System (ADS)

Radmilović-Radjenović, M.; Nina, A.; Nikitović, Ž.

2009-01-01

In this paper, the process of back-diffusion in nitrogen is studied by means of Monte Carlo simulations. In particular we analyze the influence of different aspects of back-diffusion in order to simplify the models of plasma displays, low pressure gas breakdown and detectors of high energy particles. The obtained simulation results show that the escape coefficient depends strongly on the reflection coefficient and the initial energy of electrons. It was also found that the back-diffusion range and number of collisions before returning to the cathode in nitrogen are smaller than those in argon for similar conditions.

Self-Healing of biocompatible polymeric nanocomposities

NASA Astrophysics Data System (ADS)

Espino, Omar; Chipara, Dorina

2014-03-01

Polymers are vulnerable to damage in form of cracks deep within the structure, where detection is difficult and repair is near to impossible. These cracks lead to mechanical degradation of the polymer. A method has been created to solve this problem named polymeric self healing. Self healing capabilities implies the dispersion within the polymeric matrix of microcapsules filled with a monomer and of catalyst. Poly urea-formaldehyde microcapsules used in this method are filled with dicyclopentadiene that is liberated after being ruptured by the crack propagation in the material. Polymerization is assisted by a catalyst FGGC that ignites the self healing process. Nanocomposites, such as titanium oxide, will be used as an integration of these polymers that will be tested by rupturing mechanically slowly. In order to prove the self healing process, Raman spectroscopy, FTIR, and SEM are used.

A Self-Healing Aqueous Lithium-Ion Battery.

PubMed

Zhao, Yang; Zhang, Ye; Sun, Hao; Dong, Xiaoli; Cao, Jingyu; Wang, Lie; Xu, Yifan; Ren, Jing; Hwang, Yunil; Son, In Hyuk; Huang, Xianliang; Wang, Yonggang; Peng, Huisheng

2016-11-07

Flexible lithium-ion batteries are critical for the next-generation electronics. However, during the practical application, they may break under deformations such as twisting and cutting, causing their failure to work or even serious safety problems. A new family of all-solid-state and flexible aqueous lithium ion batteries that can self-heal after breaking has been created by designing aligned carbon nanotube sheets loaded with LiMn 2 O 4 and LiTi 2 (PO 4 ) 3 nanoparticles on a self-healing polymer substrate as electrodes, and a new kind of lithium sulfate/sodium carboxymethylcellulose serves as both gel electrolyte and separator. The specific capacity, rate capability, and cycling performance can be well maintained after repeated cutting and self-healing. These self-healing batteries are demonstrated to be promising for wearable devices. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mechanochemically-Active Polymer Composites

DTIC Science & Technology

2013-09-13

Jackson, Jonathan A. Bartelt, Paul V. Braun. Transparent Self - Healing Polymers Based on Encapsulated Plasticizers in a Thermoplastic Matrix...08/28/2008 4.00 J.P. Youngblood, N.R. Sottos. bioinspired materials for self cleaning and self healing , MRS Bulletin, ( ): . doi: 08/28/2008 5.00...H.M.Anderson, M.W.Keller, J.S. Moore, N.R. Sottos, S.R. White. Self Healing Polymers and Composites , , ( ): . doi: TOTAL: 35 (b) Papers published in

Self-Healing Wire Insulation

NASA Technical Reports Server (NTRS)

Parrish, Clyde F. (Inventor)

2012-01-01

A self-healing system for an insulation material initiates a self-repair process by rupturing a plurality of microcapsules disposed on the insulation material. When the plurality of microcapsules are ruptured, reactants within the plurality of microcapsules react to form a replacement polymer in a break of the insulation material. This self-healing system has the ability to repair multiple breaks in a length of insulation material without exhausting the repair properties of the material.

Self-Healing of Microcracks in Engineered Cementitious Composites (ECC) Under a Natural Environment

PubMed Central

Herbert, Emily N.; Li, Victor C.

2013-01-01

This paper builds on previous self-healing engineered cementitious composites (ECC) research by allowing ECC to heal outdoors, in the natural environment, under random and sometimes extreme environmental conditions. Development of an ECC material that can heal itself in the natural environment could lower infrastructure maintenance costs and allow for more sustainable development in the future by increasing service life and decreasing the amount of resources and energy needed for repairs. Determining to what extent current ECC materials self-heal in the natural environment is the first step in the development of an ECC that can completely heal itself when exposed to everyday environmental conditions. This study monitored outdoor ECC specimens for one year using resonant frequency (RF) and mechanical reloading to determine the rate and extent of self-healing in the natural environment. It was found that the level of RF, stiffness, and first cracking strength recovery increased as the duration of natural environment exposure increased. For specimens that underwent multiple damage cycles, it was found that the level of recovery was highly dependent on the average temperature and amount of precipitation between each damage event. However, RF, stiffness, and first cracking strength recovery data for specimens that underwent multiple loading cycles suggest that self-healing functionality can be maintained under multiple damage events. PMID:28811411

Molecular dynamic simulations of selective self-diffusion of CH4/CO2/H2O/N2 in coal

NASA Astrophysics Data System (ADS)

Song, Y.; Jiang, B.; Li, F. L.

2017-06-01

The self-diffusion coefficients (D) of CH4/CO2/H2O/N2 at a relatively broad range of temperatures(298.15∼ 458.15K)and pressures (1∼6MPa) under the NPT, NPH, NVE, and NVT ensembles were obtained after the calculations of molecular mechanics(MM), annealing kinetics(AK), giant canonical Monte Carlo(GCMC), and molecular dynamics (MD) based on Wiser bituminous coal model (WM). The Ds of the adsorbates at the saturated adsorption configurations are D CH4418K. The average swelling ratios manifest as H2O (14.7∼35.18%)>CO2 (13.38∼32.25%)>CH4 (15.35∼23.71%)> N2 (11.47∼22.14%) (NPH, 1∼6MPa). There exits differences in D, swelling ratios and E among various ensembles, indicating that the selection of ensembles has an important influence on the MD calculations for self-diffusion coefficients.

An Injectable, Self-Healing Hydrogel to Repair the Central Nervous System.

PubMed

Tseng, Ting-Chen; Tao, Lei; Hsieh, Fu-Yu; Wei, Yen; Chiu, Ing-Ming; Hsu, Shan-hui

2015-06-17

An injectable, self-healing hydrogel (≈1.5 kPa) is developed for healing nerve-system deficits. Neurosphere-like progenitors proliferate in the hydrogel and differentiate into neuron-like cells. In the zebrafish injury model, the central nervous system function is partially rescued by injection of the hydrogel and significantly rescued by injection of the neurosphere-laden hydrogel. The self-healing hydrogel may thus potentially repair the central nervous system. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetic Monte Carlo (kMC) simulation of carbon co-implant on pre-amorphization process.

PubMed

Park, Soonyeol; Cho, Bumgoo; Yang, Seungsu; Won, Taeyoung

2010-05-01

We report our kinetic Monte Carlo (kMC) study of the effect of carbon co-implant on the pre-amorphization implant (PAL) process. We employed BCA (Binary Collision Approximation) approach for the acquisition of the initial as-implant dopant profile and kMC method for the simulation of diffusion process during the annealing process. The simulation results implied that carbon co-implant suppresses the boron diffusion due to the recombination with interstitials. Also, we could compare the boron diffusion with carbon diffusion by calculating carbon reaction with interstitial. And we can find that boron diffusion is affected from the carbon co-implant energy by enhancing the trapping of interstitial between boron and interstitial.

Finite element modelling of creep cavity filling by solute diffusion

NASA Astrophysics Data System (ADS)

Versteylen, C. D.; Szymański, N. K.; Sluiter, M. H. F.; van Dijk, N. H.

2018-04-01

In recently discovered self healing creep steels, open-volume creep cavities are filled by the precipitation of supersaturated solute. These creep cavities form on the grain boundaries oriented perpendicular to the applied stress. The presence of a free surface triggers a flux of solute from the matrix, over the grain boundaries towards the creep cavities. We studied the creep cavity filling by finite element modelling and found that the filling time critically depends on (i) the ratio of diffusivities in the grain boundary and the bulk, and (ii) on the ratio of the intercavity distance and the cavity size. For a relatively large intercavity spacing 3D transport is observed when the grain boundary and volume diffusivities are of a similar order of magnitude, while a 2D behaviour is observed when the grain boundary diffusivity is dominant. Instead when the intercavity distance is small, the transport behaviour tends to a 1D behaviour in all cases, as the amount of solute available in the grain boundary is insufficient. A phase diagram with the transition lines is constructed.

Adaptive, Active and Multifunctional Composite and Hybrid Materials Program: Composite and Hybrid Materials ERA

DTIC Science & Technology

2014-04-01

Microvascular Self - Healing Composites Mechanical Evaluation ................................................................................11...Thermoplastic SMP Foam Microstructure- Mechanical Stress-Strain Relationships 2.2.2 Microvascular Self - Healing Composites Mechanical Evaluation 2.3.1 Z...materials, and embedded sensory and circulatory systems. Damage repair of torn or injured tissue was demonstrated by the use of self - healing polymer

Self-healing fiber-reinforced composite

NASA Astrophysics Data System (ADS)

Lee, Minwook; Yoon, Sam; Yarin, Alexander

In the present work two parts of the healing agent (commercially available epoxy resin and hardener) are encapsulated in separate polymeric nanofibers. The fibers are generated by a single-step dual coaxial solution blowing. The core-shell fibers with the diameters in the 200-2600 nm range are encased in the PDMS (polydimethyl siloxane) matrix to form a self-healing composite material. Under fatigue conditions, the core-shell fibers inside the composite material are ruptured and the healing agents released into the surrounding matrix. Various fatigue conditions including repeated bending and stretching are used to damage the composites and the degree of self-healing is quantified after that. Also, an incision resembling a crack is pre-notched and crack propagation is studied. It is found that the presence of the self-healing agents in the fibers significantly retards crack propagation due to curing by the epoxy at the ruptured site. The stiffness of the composites is also measured for the samples containing self-healing fibers inside them before and after the fatigue tests. A novel theory of crack propagation is proposed, which explains the observed jump-like growth of sub-critical cracks. This work was supported by the International Collaboration Program funded by the Agency for Defense Development.

Analytical study on the self-healing property of Bessel beam

NASA Astrophysics Data System (ADS)

Chu, X.

2012-10-01

With the help of Babinet principle, an analytical expression for the self-healing of Bessel beam is derived by using the Gaussian absorption function to describe the obstacle. Based on the analytical expression, the self-healing properties of Bessel beam are studied. It shows that Bessel beam has the ability to reconstruct its beam shape disturbed by an obstacle. However, during the self-healing process, not only the intensity of the beam behind the obstacle but also the other part will be affected by the obstruction. Meanwhile, the highlight spot, which intensity is larger than that without the obstacle will appear, and the size and strength of the highlight spot is determined by the size of the obstacle. From the change of Poynting vector and Babinet principle, the physical interpretations for the self-healing ability, the effects of the obstruction on the other part and the appearance of highlight spot are given.

Self-healing in single and multiple fiber(s) reinforced polymer composites

NASA Astrophysics Data System (ADS)

Woldesenbet, E.

2010-06-01

You Polymer composites have been attractive medium to introduce the autonomic healing concept into modern day engineering materials. To date, there has been significant research in self-healing polymeric materials including several studies specifically in fiber reinforced polymers. Even though several methods have been suggested in autonomic healing materials, the concept of repair by bleeding of enclosed functional agents has garnered wide attention by the scientific community. A self-healing fiber reinforced polymer composite has been developed. Tensile tests are carried out on specimens that are fabricated by using the following components: hollow and solid glass fibers, healing agent, catalysts, multi-walled carbon nanotubes, and a polymer resin matrix. The test results have demonstrated that single fiber polymer composites and multiple fiber reinforced polymer matrix composites with healing agents and catalysts have provided 90.7% and 76.55% restoration of the original tensile strength, respectively. Incorporation of functionalized multi-walled carbon nanotubes in the healing medium of the single fiber polymer composite has provided additional efficiency. Healing is found to be localized, allowing multiple healing in the presence of several cracks.

Synthesis of a new hardener agent for self-healing epoxy resins

NASA Astrophysics Data System (ADS)

Raimondo, Marialuigia; Guadagno, Liberata; Naddeo, Carlo; Longo, Pasquale; Mariconda, Annaluisa; Agovino, Anna

2014-05-01

Actually, the development of smart composites capable of self-repair in aeronautical structures is still at the planning stage owing to complex issues to overcome. One of the critical points in the development of self-healing epoxy resin is related to the impossibility to employ primary amines as hardeners. In this paper, the synthesis of a new hardener for self-healing resins is shown together with applicability conditions/ranges.

Self-Healing Superhydrophobic Materials Showing Quick Damage Recovery and Long-Term Durability.

PubMed

Wang, Liming; Urata, Chihiro; Sato, Tomoya; England, Matt W; Hozumi, Atsushi

2017-09-26

Superhydrophobic coatings/materials are important for a wide variety of applications, but the majority of these man-made coatings/materials still suffer from poor durability because of their lack of self-healing ability. Here, we report novel superhydrophobic materials which can quickly self-heal from various severe types of damage. In this study, we used poly(dimethylsiloxane) (PDMS) infused with two liquids: trichloropropylsilane, which reacts with ambient moisture to self-assemble into grass-like microfibers (named silicone micro/nanograss) on the surfaces and low-viscosity silicone oil (SO), which remains within the PDMS matrices and acts as a self-healing agent. Because of the silicone micro/nanograss structures on the PDMS surfaces and the effective preserve/protection system of a large quantity of SO within the PDMS matrices, our superhydrophobic materials showed quick superhydrophobic recovery under ambient conditions (within 1-2 h) even after exposure to plasma (24 h), boiling water, chemicals, and outside environments. Such an ability is superior to the best self-healing superhydrophobic coatings/materials reported so far.

Self-healing hyperbranched poly(aroyltriazole)s

PubMed Central

Wei, Qiang; Wang, Jian; Shen, Xiaoyuan; Zhang, Xiao A.; Sun, Jing Zhi; Qin, Anjun; Tang, Ben Zhong

2013-01-01

The research on self-healing polymers has been a hot topic. The encapsulated-monomer/catalyst, supramolecular self-assembly, and reversible or dynamic covalent bond formation are the prevailingly adopted strategies. The alternative of irreversible covalent bond formation is, however, to be further developed. In this contribution, self-healing hyperbranched poly(aroyltriazole)s of PI and PII sharing such mechanism were developed. The polymers were synthesized by our developed metal-free click polymerizations of bis(aroylacetylene)s and triazide. They are processible and have excellent film-forming ability. High quality homogeneous films and sticks free from defects could be obtained by casting. The scratched films could be self-repaired upon general heating. The cut films and sticks could be healed by stacking or pressing the halves together at elevated temperature. Thus, these hyperbranched polymers could find broad applications in diverse areas, and our design concept for self-healing materials should be generally applicable to other hyperbranched polymers with reactive groups on their peripheries.

Self-Healing Metals and Metal Matrix Composites

NASA Astrophysics Data System (ADS)

Ferguson, J. B.; Schultz, Benjamin F.; Rohatgi, Pradeep K.

2014-06-01

Self-healing in inorganic materials is a relatively new area in materials science and engineering that draws inspiration from biological systems that can self-repair damage. This article reviews the preliminary attempts to impart self-healing behavior to metals. Several challenges yet exist in the development of metallic alloys that can self-repair damage, including surface bonding issues, such as liquid/solid contact angle (wetting) and oxidation, and practical issues, such as capillary pressure for delivery of a liquid metal to a damaged area or crack, and the overall mechanical properties of a composite system. Although the applied research approaches reviewed have obtained marginal success, the development of self-healing metallic systems has the potential to benefit a wide range of industrial applications and thus deserves greater investment in fundamental research.

Linear and Non-Linear Dielectric Response of Periodic Systems from Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Umari, Paolo

2006-03-01

We present a novel approach that allows to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wavefunction, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence. The polarization is sampled through forward-walking. This approach has been validated for the case of the polarizability of an isolated hydrogen atom, and then applied to a periodic system. We then calculate the linear susceptibility and second-order hyper-susceptibility of molecular-hydrogen chains whith different bond-length alternations, and assess the quality of nodal surfaces derived from density-functional theory or from Hartree-Fock. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.P. Umari, A.J. Williamson, G. Galli, and N. MarzariPhys. Rev. Lett. 95, 207602 (2005).

Air Force Research Laboratory Technology Milestones 2010

DTIC Science & Technology

2010-01-01

these self - healing , mixed-signal integrated circuits, or HEALIC, adjust to existing conditions in order to maintain the desired level of...functionality. As part of aiding the DARPA effort to realize this self - healing capability, sensors scientists managed the development of a wideband, 6-18 GHz...technology, with the subsequent demonstration activity presenting the integrated designs containing this self - healing circuitry. The newly-concept

Army Communicator. Volume 35, Number 3, Fall 2010

DTIC Science & Technology

2010-01-01

Self - Healing Waveform extends squad communications Edric Thompson 44 5th Signal Command Implementing new...exciting because the network self heals its fragmented connectivity by leveraging other squad radios us- ing the waveform, said Mr. Eric Wil- liams...R&D Self - healing Waveform Rodney Smith (left), and Ted Krainski of C4ISR OTM set up radios as static nodes, representing

Air-Stable n-type Conductors and Semiconductors

DTIC Science & Technology

2015-07-14

Distribution approved for public release.   10   4. Stretchable and self - healing materials and device development. Future electronic devices...that can self - heal at room temperature repeatedly and have electrical conductivity. Such materials, mimicking human skin functions, may have...particle polymer composites we then developed an elastic nanocomposite material with the ability to rapidly self - heal at room temperature by combining

Remendable Polymeric Materials Using Reversible Covalent Bonds

DTIC Science & Technology

2008-12-01

Synthesis and characterization of melamine - urea - formaldehyde microcapsules containing ENB-based self-healing agents. International Conference on Smart...R. Wang, X. He, W. Liu, and H. Hao, 2007: Preparation and characterization of self-healing poly ( urea - formaldehyde ) microcapsules. International...captured much attention. In one method, polymer networks are made to self-heal by adding particles filled with uncured resin . The resin held

Electrical and Structural Origin of Self-Healing Phenomena in Pentacene Thin Films.

PubMed

Kang, Evan S H; Zhang, Hongbin; Donner, Wolfgang; von Seggern, Heinz

2017-04-01

Self-healing induced by structural phase transformation is demonstrated using pentacene field-effect transistors. During the self-healing process, the electrical properties at the pentacene interfaces improve due to the phase transformation from monolayer phase to thin-film phase. Enhanced mobility is confirmed by first-principles calculations. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Impact of self-healing capability on network robustness

NASA Astrophysics Data System (ADS)

Shang, Yilun

2015-04-01

A wide spectrum of real-life systems ranging from neurons to botnets display spontaneous recovery ability. Using the generating function formalism applied to static uncorrelated random networks with arbitrary degree distributions, the microscopic mechanism underlying the depreciation-recovery process is characterized and the effect of varying self-healing capability on network robustness is revealed. It is found that the self-healing capability of nodes has a profound impact on the phase transition in the emergence of percolating clusters, and that salient difference exists in upholding network integrity under random failures and intentional attacks. The results provide a theoretical framework for quantitatively understanding the self-healing phenomenon in varied complex systems.

Impact of self-healing capability on network robustness.

PubMed

Shang, Yilun

2015-04-01

A wide spectrum of real-life systems ranging from neurons to botnets display spontaneous recovery ability. Using the generating function formalism applied to static uncorrelated random networks with arbitrary degree distributions, the microscopic mechanism underlying the depreciation-recovery process is characterized and the effect of varying self-healing capability on network robustness is revealed. It is found that the self-healing capability of nodes has a profound impact on the phase transition in the emergence of percolating clusters, and that salient difference exists in upholding network integrity under random failures and intentional attacks. The results provide a theoretical framework for quantitatively understanding the self-healing phenomenon in varied complex systems.

Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates.

PubMed

Mitchell, Martha C; Gallo, Marco; Nenoff, Tina M

2004-07-22

Equilibrium molecular dynamics (MD) simulations of equimolar mixtures of hydrogen and methane were performed in three different titanosilicates: naturally occurring zorite and two synthetic titanosilicates, ETS-4 and ETS-10. In addition, single-component MD simulations and adsorption isotherms generated using grand canonical Monte Carlo simulations were performed to support the mixture simulations. The goal of this study was to determine the best membrane material to carry out hydrogen/methane separations. ETS-10 has a three-dimensional pore network. ETS-4 and zorite have two-dimensional pore networks. The simulations carried out in this study show that the increased porosity of ETS-10 results in self-diffusion coefficients for both hydrogen and methane that are higher in ETS-10 than in either ETS-4 or zorite. Methane only showed appreciable displacement in ETS-10. The ability of the methane molecules to move in all three directions in ETS-10 was demonstrated by the high degree of isotropy shown in the values of the x, y, and z components of the self-diffusion coefficient for methane in ETS-10. From our simulations we conclude that ETS-10 would be better suited for fast industrial separations of hydrogen and methane. However, the separation would not result in a pure hydrogen stream. In contrast, ETS-4 and zorite would act as true molecular sieves for separations of hydrogen and methane, as the methane would not move through membranes made of these materials. This was indicated by the near-zero self-diffusion coefficient of methane in ETS-4 and zorite.

Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates

NASA Astrophysics Data System (ADS)

Mitchell, Martha C.; Gallo, Marco; Nenoff, Tina M.

2004-07-01

Equilibrium molecular dynamics (MD) simulations of equimolar mixtures of hydrogen and methane were performed in three different titanosilicates: naturally occurring zorite and two synthetic titanosilicates, ETS-4 and ETS-10. In addition, single-component MD simulations and adsorption isotherms generated using grand canonical Monte Carlo simulations were performed to support the mixture simulations. The goal of this study was to determine the best membrane material to carry out hydrogen/methane separations. ETS-10 has a three-dimensional pore network. ETS-4 and zorite have two-dimensional pore networks. The simulations carried out in this study show that the increased porosity of ETS-10 results in self-diffusion coefficients for both hydrogen and methane that are higher in ETS-10 than in either ETS-4 or zorite. Methane only showed appreciable displacement in ETS-10. The ability of the methane molecules to move in all three directions in ETS-10 was demonstrated by the high degree of isotropy shown in the values of the x, y, and z components of the self-diffusion coefficient for methane in ETS-10. From our simulations we conclude that ETS-10 would be better suited for fast industrial separations of hydrogen and methane. However, the separation would not result in a pure hydrogen stream. In contrast, ETS-4 and zorite would act as true molecular sieves for separations of hydrogen and methane, as the methane would not move through membranes made of these materials. This was indicated by the near-zero self-diffusion coefficient of methane in ETS-4 and zorite.

Induction and Tunability of Self-Healing Property of Dendron Based Hydrogel Using Clay Nanocomposite.

PubMed

Vivek, Balachandran; Kumar, Prashant; Prasad, Edamana

2016-06-16

Low molecular weight gels have relatively poor self-healing capacity compared to that of polymeric gels. Induction and tuning of the healing capacity of low molecular weight gels to achieve desired applications are thus challenging tasks. The present work describes the achievement of remarkable tunability of self-healing property for a low molecular weight hybrid gel, based on poly(aryl ether) dendron derivative (PAD). The hybrid gel has been synthesized using PAD and poly(amido amine) {PAMAM} dendrimer derivative (QPD), which are intercalated in the montmorillonite clay (MMT) layers. The self-healing of the hybrid gel (QPD-MMT-PAD) was demonstrated through experiments where the distorted gel regained the initial value of storage modulus (G') within a few minutes. Further, the propensity of self-healing of the gel has been tuned as a function of QPD concentration. The mechanically stable QPD-MMT-PAD hybrid gel has been utilized for the adsorption of ppm level concentration of polycyclic aromatic hydrocarbons (PAHs) such as β-naphthol, pyrene, and phenenathrene from water with excellent efficiency (80-98%).

A novel model for smectic liquid crystals: Elastic anisotropy and response to a steady-state flow.

PubMed

Püschel-Schlotthauer, Sergej; Meiwes Turrión, Victor; Stieger, Tillmann; Grotjahn, Robin; Hall, Carol K; Mazza, Marco G; Schoen, Martin

2016-10-28

By means of a combination of equilibrium Monte Carlo and molecular dynamics simulations and nonequilibrium molecular dynamics we investigate the ordered, uniaxial phases (i.e., nematic and smectic A) of a model liquid crystal. We characterize equilibrium behavior through their diffusive behavior and elastic properties. As one approaches the equilibrium isotropic-nematic phase transition, diffusion becomes anisotropic in that self-diffusion D ⊥ in the direction orthogonal to a molecule's long axis is more hindered than self-diffusion D ∥ in the direction parallel to that axis. Close to nematic-smectic A phase transition the opposite is true, D ∥ < D ⊥ . The Frank elastic constants K 1 , K 2 , and K 3 for the respective splay, twist, and bend deformations of the director field n̂ are no longer equal and exhibit a temperature dependence observed experimentally for cyanobiphenyls. Under nonequilibrium conditions, a pressure gradient applied to the smectic A phase generates Poiseuille-like or plug flow depending on whether the convective velocity is parallel or orthogonal to the plane of smectic layers. We find that in Poiseuille-like flow the viscosity of the smectic A phase is higher than in plug flow. This can be rationalized via the velocity-field component in the direction of the flow. In a sufficiently strong flow these smectic layers are not destroyed but significantly bent.

Bioinspired self-healing materials: lessons from nature

PubMed Central

Cremaldi, Joseph C

2018-01-01

Healing is an intrinsic ability in the incredibly biodiverse populations of the plant and animal kingdoms created through evolution. Plants and animals approach healing in similar ways but with unique pathways, such as damage containment in plants or clotting in animals. After analyzing the examples of healing and defense mechanisms found in living nature, eight prevalent mechanisms were identified: reversible muscle control, clotting, cellular response, layering, protective surfaces, vascular networks or capsules, exposure, and replenishable functional coatings. Then the relationship between these mechanisms, nature’s best (evolutionary) methods of mitigating and healing damage, and existing technology in self-healing materials are described. The goals of this top-level overview are to provide a framework for relating the behavior seen in living nature to bioinspired materials, act as a resource to addressing the limitations/problems with existing materials, and open up new avenues of insight and research into self-healing materials. PMID:29600152

Effects of self-healing microcapsules on bending performance in composite brake pads

NASA Astrophysics Data System (ADS)

Zhang, Li; Dong, Xiu-ping; Wang, Hui

2009-07-01

For the purpose of reducing self-weight, friction noise and cost, improving shock absorption, enhancing corrosion and wear resistance, brake pads made of composite materials with self-healing function are prepared to substitute metal ones by designing ingredients and applying optimized production technology. As self-healing capsules are chosen, new method with technology of self-healing microcapsules, dicyclpentadiene (DCPD) microcapsules coated with poly (urea-formaldehyde), is put forward in this paper. In the crack's extending process, the stress is concentrated at the crack end, where the microcapsule is designed to be located. When the stress goes through the microcapsules and causes them to break, the self-healing liquid runs out to fill the crack by the capillary and it will poly-react with catalyst in the composite. As a result, the crack is healed. In this paper, polymer matrix composite brake pads with 6 prescriptions are prepared and studied. Three-point bending tests are carried out according to standards in GB/T 3356-1999 and the elastic constants of these polymer matrix composites are obtained by experiments. In accordance with the law of the continuous fiber composite, elastic constants of the short-fiber composite can be calculated by proportions of each ingredient. Results show that the theoretical expected results and the experimental values are consistent. 0.3-1.2 % mass proportion of microcapsules has little effects on the composite's bending intensity and modulus of elasticity. These studies also show that self-healing microcapsules used in composite brake pads is feasible.

Raman Spectroscopy of Poly-Urea Formaldehyde Microcapsules

NASA Astrophysics Data System (ADS)

Espino, Omar; Chipara, Dorina; Chipara, Mircea; Martinez, Melissa

2015-03-01

The objective of this research project was to add self-healing capabilities to polymeric nanocomposites. We used the ``classical'' method to obtain self-healing polymers with the addition of TiO2 nanoparticles in the self-healing system. Self-healing polymers are obtained by dispersion of first generation Grubbs catalysts and microcapsules filled with monomers (typically DCPD). These kind of ``smart materials'' are able to survive to high mechanical stress via the ignition of the so called ``autonomous self-healing mechanism'' which is actually a ring opening methatesis polymerization (ROMP) reaction triggered by mechanical stresses in excess over a threshold limit through the rupture of microcapsules and the release of the monomeric content. As a preliminary step for adding self-healing capabilities in nanocomposites, the synthesis of microcapsules filled with dicyclopentadiene (DCPD) is vital for the addition of self-healing capabilities to polymeric matrices. We synthesized polyurea-formaldehyde (PUF) microcapsules filled with monomer (DCPD) using the in-situ polymerization. The synthesis was monitored by Raman spectroscopy, optical microscopy, and pH measurements that has been extensively used as a non-invasive techniques in the characterization of polymers and monitoring of organic reactions. The goal of this research was to assess the formation of the microcapsules during synthesis and the presence of the DCPD in the microcapsules. Samples were taken during the synthesis every 30 minutes and analyzed by Raman spectroscopy, and optical microscopy keeping a control over the pH of the solution.

Self-healing coatings containing microcapsule

NASA Astrophysics Data System (ADS)

Zhao, Yang; Zhang, Wei; Liao, Le-ping; Wang, Si-jie; Li, Wu-jun

2012-01-01

Effectiveness of epoxy resin filled microcapsules was investigated for healing of cracks generated in coatings. Microcapsules were prepared by in situ polymerization of urea-formaldehyde resin to form shell over epoxy resin droplets. Characteristics of these capsules were studied by 3D measuring laser microscope, particle size analyzer, Fourier-transform infrared spectroscopy (FTIR) and differential scanning calorimeter (DSC) to investigate their surface morphology, size distribution, chemical structure and thermal stability, respectively. The results indicate that microcapsules containing epoxy resins can be synthesized successfully. The size is around 100 μm. The rough outer surface of microcapsule is composed of agglomerated urea-formaldehyde nanoparticles. The size and surface morphology of microcapsule can be controlled by selecting different processing parameters. The microcapsules basically exhibit good storage stability at room temperature, and they are chemically stable before the heating temperature is up to approximately 200 °C. The model system of self-healing coating consists of epoxy resin matrix, 10 wt% microencapsulated healing agent, 2 wt% catalyst solution. The self-healing function of this coating system is evaluated through self-healing testing of damaged and healed coated steel samples.

Reversible Shape Memory Polymers and Composites: Synthesis, Modeling and Design

DTIC Science & Technology

2013-03-01

Polymer; and (iii) Development of a Shape Memory Assisted Self - Healing Polymer. Page 3 of 19 Mather/FA9550-09-1-0195 IV(i) Modeling and Model...0195 IV(iii) Development of a Shape Memory Assisted Self - Healing Polymer Erika D. Rodriguez, X. Luo, and P.T. Mather, “Linear and Crosslinked...Poly (ε- Caprolactone) Polymers for Shape Memory Assisted Self - Healing (SMASH),” ACS Applied Materials and Interfaces 3 152-161 (2011). Self

Accelerated rescaling of single Monte Carlo simulation runs with the Graphics Processing Unit (GPU).

PubMed

Yang, Owen; Choi, Bernard

2013-01-01

To interpret fiber-based and camera-based measurements of remitted light from biological tissues, researchers typically use analytical models, such as the diffusion approximation to light transport theory, or stochastic models, such as Monte Carlo modeling. To achieve rapid (ideally real-time) measurement of tissue optical properties, especially in clinical situations, there is a critical need to accelerate Monte Carlo simulation runs. In this manuscript, we report on our approach using the Graphics Processing Unit (GPU) to accelerate rescaling of single Monte Carlo runs to calculate rapidly diffuse reflectance values for different sets of tissue optical properties. We selected MATLAB to enable non-specialists in C and CUDA-based programming to use the generated open-source code. We developed a software package with four abstraction layers. To calculate a set of diffuse reflectance values from a simulated tissue with homogeneous optical properties, our rescaling GPU-based approach achieves a reduction in computation time of several orders of magnitude as compared to other GPU-based approaches. Specifically, our GPU-based approach generated a diffuse reflectance value in 0.08ms. The transfer time from CPU to GPU memory currently is a limiting factor with GPU-based calculations. However, for calculation of multiple diffuse reflectance values, our GPU-based approach still can lead to processing that is ~3400 times faster than other GPU-based approaches.

Novel self-healing materials chemistries for targeted applications

NASA Astrophysics Data System (ADS)

Wilson, Gerald O.

Self-healing materials of the type developed by White and co-workers [1] were designed to autonomically heal themselves when damaged, thereby extending the lifetime of various applications in which such material systems are employed. The system was based on urea-formaldehyde microcapsules containing dicyclopentadiene (DCPD) and Grubbs' catalyst particles embedded together in an epoxy matrix. When a crack propagates through the material, it ruptures the microcapsules, releasing DCPD into the crack plane, where it comes in contact and reacts with the catalyst to initiate a ring opening metathesis polymerization (ROMP), bonding the crack and restoring structural continuity. The present work builds on this concept in several ways. Firstly, it expands the scope and versatility of the ROMP self-healing chemistry by incorporation into epoxy vinyl ester matrices. Major technical challenges in this application include protection of the catalyst from deactivation by aggressive curing agents, and optimization of the concentration of healing agents in the matrix. Secondly, new ruthenium catalysts are evaluated for application in ROMP-based self-healing materials. The use of alternative derivatives of Grubbs' catalyst gave rise to self-healing systems with improved healing efficiencies and thermal properties. Evaluation of the stability of these new catalysts to primary amine curing agents used in the curing of common epoxy matrices also led to the discovery and characterization of new ruthenium catalysts which exhibited ROMP initiation kinetics superior to those of first and second generation Grubbs' catalysts. Finally, free radical polymerization was evaluated for application in the development of bio-compatible self-healing materials. [1] White, S. R.; Sottos, N. R.; Geubelle, P. R.; Moore, J. S.; Kessler, M. R.; Sriram, S. R.; Brown, E. N.; Viswanathan, S. Nature 2001, 409, 794.

Electrosprayed Multi-Core Alginate Microcapsules as Novel Self-Healing Containers

NASA Astrophysics Data System (ADS)

Hia, Iee Lee; Pasbakhsh, Pooria; Chan, Eng-Seng; Chai, Siang-Piao

2016-10-01

Alginate microcapsules containing epoxy resin were developed through electrospraying method and embedded into epoxy matrix to produce a capsule-based self-healing composite system. These formaldehyde free alginate/epoxy microcapsules were characterized via light microscope, field emission scanning electron microscope, fourier transform infrared spectroscopy and thermogravimetric analysis. Results showed that epoxy resin was successfully encapsulated within alginate matrix to form porous (multi-core) microcapsules with pore size ranged from 5-100 μm. The microcapsules had an average size of 320 ± 20 μm with decomposition temperature at 220 °C. The loading capacity of these capsules was estimated to be 79%. Under in situ healing test, impact specimens showed healing efficiency as high as 86% and the ability to heal up to 3 times due to the multi-core capsule structure and the high impact energy test that triggered the released of epoxy especially in the second and third healings. TDCB specimens showed one-time healing only with the highest healing efficiency of 76%. The single healing event was attributed by the constant crack propagation rate of TDCB fracture test. For the first time, a cost effective, environmentally benign and sustainable capsule-based self-healing system with multiple healing capabilities and high healing performance was developed.

Electrosprayed Multi-Core Alginate Microcapsules as Novel Self-Healing Containers.

PubMed

Hia, Iee Lee; Pasbakhsh, Pooria; Chan, Eng-Seng; Chai, Siang-Piao

2016-10-03

Alginate microcapsules containing epoxy resin were developed through electrospraying method and embedded into epoxy matrix to produce a capsule-based self-healing composite system. These formaldehyde free alginate/epoxy microcapsules were characterized via light microscope, field emission scanning electron microscope, fourier transform infrared spectroscopy and thermogravimetric analysis. Results showed that epoxy resin was successfully encapsulated within alginate matrix to form porous (multi-core) microcapsules with pore size ranged from 5-100 μm. The microcapsules had an average size of 320 ± 20 μm with decomposition temperature at 220 °C. The loading capacity of these capsules was estimated to be 79%. Under in situ healing test, impact specimens showed healing efficiency as high as 86% and the ability to heal up to 3 times due to the multi-core capsule structure and the high impact energy test that triggered the released of epoxy especially in the second and third healings. TDCB specimens showed one-time healing only with the highest healing efficiency of 76%. The single healing event was attributed by the constant crack propagation rate of TDCB fracture test. For the first time, a cost effective, environmentally benign and sustainable capsule-based self-healing system with multiple healing capabilities and high healing performance was developed.

Electrosprayed Multi-Core Alginate Microcapsules as Novel Self-Healing Containers

PubMed Central

Hia, Iee Lee; Pasbakhsh, Pooria; Chan, Eng-Seng; Chai, Siang-Piao

2016-01-01

Alginate microcapsules containing epoxy resin were developed through electrospraying method and embedded into epoxy matrix to produce a capsule-based self-healing composite system. These formaldehyde free alginate/epoxy microcapsules were characterized via light microscope, field emission scanning electron microscope, fourier transform infrared spectroscopy and thermogravimetric analysis. Results showed that epoxy resin was successfully encapsulated within alginate matrix to form porous (multi-core) microcapsules with pore size ranged from 5–100 μm. The microcapsules had an average size of 320 ± 20 μm with decomposition temperature at 220 °C. The loading capacity of these capsules was estimated to be 79%. Under in situ healing test, impact specimens showed healing efficiency as high as 86% and the ability to heal up to 3 times due to the multi-core capsule structure and the high impact energy test that triggered the released of epoxy especially in the second and third healings. TDCB specimens showed one-time healing only with the highest healing efficiency of 76%. The single healing event was attributed by the constant crack propagation rate of TDCB fracture test. For the first time, a cost effective, environmentally benign and sustainable capsule-based self-healing system with multiple healing capabilities and high healing performance was developed. PMID:27694922

Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study

DOE PAGES

Alfonso, Dominic R.; Tafen, De Nyago

2015-04-28

The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out formore » the purpose of understanding the predicted trends.« less

Selective Adsorption and Selective Transport Diffusion of CO2-CH4 Binary Mixture in Coal Ultramicropores.

PubMed

Zhao, Yongliang; Feng, Yanhui; Zhang, Xinxin

2016-09-06

The adsorption and diffusion of the CO2-CH4 mixture in coal and the underlying mechanisms significantly affect the design and operation of any CO2-enhanced coal-bed methane recovery (CO2-ECBM) project. In this study, bituminous coal was fabricated based on the Wiser molecular model and its ultramicroporous parameters were evaluated; molecular simulations were established through Grand Canonical Monte Carlo (GCMC) and Molecular Dynamic (MD) methods to study the effects of temperature, pressure, and species bulk mole fraction on the adsorption isotherms, adsorption selectivity, three distinct diffusion coefficients, and diffusivity selectivity of the binary mixture in the coal ultramicropores. It turns out that the absolute adsorption amount of each species in the mixture decreases as temperature increases, but increases as its own bulk mole fraction increases. The self-, corrected, and transport diffusion coefficients of pure CO2 and pure CH4 all increase as temperature or/and their own bulk mole fractions increase. Compared to CH4, the adsorption and diffusion of CO2 are preferential in the coal ultramicropores. Adsorption selectivity and diffusivity selectivity were simultaneously employed to reveal that the optimal injection depth for CO2-ECBM is 800-1000 m at 308-323 K temperature and 8.0-10.0 MPa.

Fabrication and Characterization of Novel Electrothermal Self-Healing Microcapsules with Graphene/Polymer Hybrid Shells for Bitumenious Material.

PubMed

Wang, Xinyu; Guo, Yandong; Su, Junfeng; Zhang, Xiaolong; Wang, Yingyuan; Tan, Yiqiu

2018-06-09

Self-healing bituminous material has been a hot research topic in self-healing materials, and this smart self-healing approach is a promising a revolution in pavement material technology. Bitumen has a self-healing naturality relating to temperature, healing time, and aging degree. To date, heat induction and microencapsulation rejuvenator are two feasible approaches, which have been put into real applications. However, both methods have disadvantages limiting their practical results and efficiency. It will be an ideal method combining the advantages and avoiding the disadvantages of the above two methods at the same time. The aim of this work was to synthesize and characterize electrothermal self-healing microcapsules containing bituminous rejuvenator with graphene/organic nanohybrid structure shells. The microcapsules owned electric conductivity capability because of the advent of graphene, and realized the self-healing through the two approaches of heat induction and rejuvenation. The microcapsule shells were fabricated using a strength hexamethoxymethylmelamine (HMMM) resin and graphene by two-step hybrid polymerization. Experimental tests were carried out to character the morphology, integrity, and shell structure. It was found that the electric charge balance determined the graphene/HMMM microstructure. The graphene content in shells could not be greatly increased under an electrostatic balance in emulsion. X-ray photoelectron spectroscopy (XPS), Energy dispersive spectrometer (EDS), Transmission electron microscope (TEM) and Atomic force microscopy (AFM) results indicated that the graphene had deposited on shells. TGA/DTG tests implied that the thermal decomposition temperature of microcapsules with graphene had increased to about 350 °C. The thermal conductivity of microcapsules had been sharply increased to about 8.0 W/m²·K with 2.0 wt % graphene in shells. At the same time, electrical resistivity of microcapsules/bitumen samples had a decrease with more graphene in bitumen.

Bio-inspired self-healing structural color hydrogel

PubMed Central

Fu, Fanfan; Chen, Zhuoyue; Zhao, Ze; Wang, Huan; Shang, Luoran; Gu, Zhongze

2017-01-01

Biologically inspired self-healing structural color hydrogels were developed by adding a glucose oxidase (GOX)- and catalase (CAT)-filled glutaraldehyde cross-linked BSA hydrogel into methacrylated gelatin (GelMA) inverse opal scaffolds. The composite hydrogel materials with the polymerized GelMA scaffold could maintain the stability of an inverse opal structure and its resultant structural colors, whereas the protein hydrogel filler could impart self-healing capability through the reversible covalent attachment of glutaraldehyde to lysine residues of BSA and enzyme additives. A series of unprecedented structural color materials could be created by assembling and healing the elements of the composite hydrogel. In addition, as both the GelMA and the protein hydrogels were derived from organisms, the composite materials presented high biocompatibility and plasticity. These features of self-healing structural color hydrogels make them excellent functional materials for different applications. PMID:28533368

Ballistic Puncture Self-Healing Polymeric Materials

NASA Technical Reports Server (NTRS)

Gordon, Keith L.; Siochi, Emilie J.; Yost, William T.; Bogert, Phil B.; Howell, Patricia A.; Cramer, K. Elliott; Burke, Eric R.

2017-01-01

Space exploration launch costs on the order of $10,000 per pound provide an incentive to seek ways to reduce structural mass while maintaining structural function to assure safety and reliability. Damage-tolerant structural systems provide a route to avoiding weight penalty while enhancing vehicle safety and reliability. Self-healing polymers capable of spontaneous puncture repair show promise to mitigate potentially catastrophic damage from events such as micrometeoroid penetration. Effective self-repair requires these materials to quickly heal following projectile penetration while retaining some structural function during the healing processes. Although there are materials known to possess this capability, they are typically not considered for structural applications. Current efforts use inexpensive experimental methods to inflict damage, after which analytical procedures are identified to verify that function is restored. Two candidate self-healing polymer materials for structural engineering systems are used to test these experimental methods.

Biobased, self-healable, high strength rubber with tunicate cellulose nanocrystals.

PubMed

Cao, Liming; Yuan, Daosheng; Xu, Chuanhui; Chen, Yukun

2017-10-19

Cellulose nanocrystals represent a promising and environmentally friendly reinforcing nanofiller for polymers, especially for rubbers and elastomers. Here, a simple approach via latex mixing is used to fabricate biobased, healable rubber with high strength based on epoxidized natural rubber (ENR). Tunicate cellulose nanocrystals (t-CNs) isolated from marine biomass with a high aspect ratio are used to improve both mechanical properties and self-healing behavior of the material. By introducing dynamic hydrogen bond supramolecular networks between oxygenous groups of ENR and hydroxyl groups on the t-CN surface, together with chain interdiffusion in permanently but slightly cross-linked rubber, self-healing and mechanical properties are facilitated significantly in the resulting materials. Macroscopic tensile healing behavior and microscopic morphology analyses are carried out to evaluate the performance of the materials. Both t-CN content and healing time have significant influence on healing behavior. The results indicate that a synergistic effect between molecular interdiffusion and dynamic hydrogen bond supramolecular networks leads to the improved self-healing behavior.

Manipulating polymers and composites from the nanoscopic to microscopic length scales

NASA Astrophysics Data System (ADS)

Gupta, Suresh

2008-10-01

This thesis focuses on the manipulation of polymers and composites on length scales ranging from the nanoscopic to microscopic. In particular, on the microscopic length scale electric fields were used to produce instabilities at the air surface and at polymer interfaces that lead to novel three dimensional structures and patterns. On the nanoscopic length scale, the interaction of ligands attached to nanoparticles and polymer matrix were used to induce self-assembly processes that, in turn, lead to systems that self-heal, self-corral, or are patterned. For manipulation at the micron length scale, electrohydrodynamic instabilities were used in trilayer system composed of a layer of poly(methyl methacrylate) (PMMA), a second layer of polystyrene (PS) and a third layer of air. Dewetting of the polymer at the substrate at the polymer/polymer interface under an applied electric field was used to generate novel three dimensional structures. Also, electrohydrodynamic instabilities were used to pattern thin polymer films in conjunction with ultrasonic vibrations and patterned upper electrodes. Self-assembly processes involving polymers and nanoparticles offer a unique means of generating pattern materials or materials that self heal. Simple polymer/nanoparticle composites were investigated. Here, in the absence of interactions between the poly(ethylene oxide) ligands attached to the nanoparticles and PMMA polymer matrix, the opportunity to generate self-healing systems was opened. The size of the nanoparticle was varied and the effect on diffusion of nanoparticle in the polymer matrix was studied. CdSe nanorods were also assembled on a substrate templated with or guided by microphase separated diblock copolymers. The nanorods were incorporated in the diblock copolymer thin films by spin coating the co-solution of nanorods and polymer, surface adsorption of nanorods on to the patterned diblock copolymer films and surface reconstruction of PS/PMMA diblock copolymer thin film. Further, the interactions between the PMMA polymer matrix and the tri n-octyl phosphine oxide ligands attached to an anisotropic nanoparticle, i.e. nanorods, were used to influence the dispersion of the nanorods in the polymer. This led to a novel assembly, termed self-corralling where under an applied electric field highly oriented, highly ordered arrays of nanorods form. Further, self corralling of nanorods was directed by chemically patterned substrates.

Novel Diels-Alder based self-healing epoxies for aerospace composites

NASA Astrophysics Data System (ADS)

Coope, T. S.; Turkenburg, D. H.; Fischer, H. R.; Luterbacher, R.; van Bracht, H.; Bond, I. P.

2016-08-01

Epoxy resins containing Diels-Alder (DA) furan and maleimide moieties are presented with the capability to self-heal after exposure to an external heat source. A conventional epoxy amine system has been combined with furfuryl and maleimide functional groups in a two-step process, to avoid major side-reactions, and the concentration of a thermo-reversibly binding cross-linker was considered to balance thermoset and thermoplastic behaviours, and the subsequent self-healing performance. In the context of self-repair technologies an inbuilt ‘intrinsic’ self-healing system is deemed favourable as the healing agent can be placed in known ‘hot spot’ regions (i.e. skin-stringer run outs, ply drops and around drilled holes) where operational damage predominately occurs in load bearing aerospace structures. In this study, the mechanical and self-healing performance of furan functionalised epoxy resins containing varying amounts (10, 20, 30 or 40 pph) of bismaleimide were investigated using a bulk epoxy polymer tapered double cantilever beam test specimen geometry. Two forms, a thin film and a bulk material, were evaluated to account for future integration methods into fibre reinforced polymer (FRP) composites. The highest healing efficiency, with respect to the obtained initial load value, was observed from the 20 pph bulk material derivative. The polymers were successful in achieving consistent multiple (three) healing cycles when heated at 150 °C for 5 min. This novel investigated DA material exhibits favourable processing characteristics for FRP composites as preliminary studies have shown successful coextrution with reinforcing fibres to form free standing films and dry fibre impregnation.

Redox-responsive self-healing materials formed from host–guest polymers

PubMed Central

Nakahata, Masaki; Takashima, Yoshinori; Yamaguchi, Hiroyasu; Harada, Akira

2011-01-01

Expanding the useful lifespan of materials is becoming highly desirable, and self-healing and self-repairing materials may become valuable commodities. The formation of supramolecular materials through host–guest interactions is a powerful method to create non-conventional materials. Here we report the formation of supramolecular hydrogels and their redox-responsive and self-healing properties due to host–guest interactions. We employ cyclodextrin (CD) as a host molecule because it is environmentally benign and has diverse applications. A transparent supramolecular hydrogel quickly forms upon mixing poly(acrylic acid) (pAA) possessing β-CD as a host polymer with pAA possessing ferrocene as a guest polymer. Redox stimuli induce a sol−gel phase transition in the supramolecular hydrogel and can control self-healing properties such as re-adhesion between cut surfaces. PMID:22027591

Light triggered interfacial damage self-healing of poly(p-phenylene benzobisoxazole) fiber composites.

PubMed

Hu, Zhen; Shao, Qing; Huang, Yudong; Yu, Long; Zhang, Dayu; Xu, Xirong; Lin, Jing; Liu, Hu; Guo, Zhanhu

2018-05-04

The interfacial microcracks in the resin matrix composites are difficult to be detected and repaired. However, the self-healing concept provides opportunities to fabricate composites with unusual properties. In the present study, photothermal conversion Ag-Cu 2 S nanoparticles were immobilized onto poly(p-phenylene benzobisoxazole) (PBO) fibers via a polydopamine chemistry. Benefitting from the photothermal effects of Ag-Cu 2 S, the obtained PBO fibers (Ag-Cu 2 S-PBO) efficiently converted the light energy into heat under Xenon lamp irradiation. Then, single PBO fiber composites were prepared using thermoplastic polyurethane as the matrix. It was found that the interfacial damage caused by single fiber pull-out was simply self-healed by Xe light irradiation. This wonderful interfacial damage self-healing property was mainly attributed to the in situ heating generation via photothermal effects of Ag-Cu 2 S in the composite interface. This paper reports a novel strategy to construct advanced composites with light-triggered self-healing properties, which will provide inspiration for preparing high performance composite materials.

Light triggered interfacial damage self-healing of poly(p-phenylene benzobisoxazole) fiber composites

NASA Astrophysics Data System (ADS)

Hu, Zhen; Shao, Qing; Huang, Yudong; Yu, Long; Zhang, Dayu; Xu, Xirong; Lin, Jing; Liu, Hu; Guo, Zhanhu

2018-05-01

The interfacial microcracks in the resin matrix composites are difficult to be detected and repaired. However, the self-healing concept provides opportunities to fabricate composites with unusual properties. In the present study, photothermal conversion Ag-Cu2S nanoparticles were immobilized onto poly(p-phenylene benzobisoxazole) (PBO) fibers via a polydopamine chemistry. Benefitting from the photothermal effects of Ag-Cu2S, the obtained PBO fibers (Ag-Cu2S-PBO) efficiently converted the light energy into heat under Xenon lamp irradiation. Then, single PBO fiber composites were prepared using thermoplastic polyurethane as the matrix. It was found that the interfacial damage caused by single fiber pull-out was simply self-healed by Xe light irradiation. This wonderful interfacial damage self-healing property was mainly attributed to the in situ heating generation via photothermal effects of Ag-Cu2S in the composite interface. This paper reports a novel strategy to construct advanced composites with light-triggered self-healing properties, which will provide inspiration for preparing high performance composite materials.

Orientation of surfactant self-assembled aggregates on graphite

NASA Astrophysics Data System (ADS)

Sammalkorpi, Maria; Hynninen, Antti-Pekka; Panagiotopoulos, Athanassios Z.; Haataja, Mikko

2007-03-01

Micellar aggregates on surfaces can provide a self-healing corrosion protection or lubrication layer. It has been observed experimentally that on a single crystal surface this layer often consists of oriented hemi-cylindrical micelles which are aligned with the underlying crystal lattice (``orientation effect''). A key feature of this self-assembly process is the interplay between detergent--detergent and detergent--surface interactions. Since the dimensions of the detergent molecules and the unit cell of the surface are typically quite different, the origins of this orientation effect remain unclear. Here we address the question and present the results of Molecular Dynamics simulations of sodium dodecyl sulfate (SDS) self-aggregation on graphite. We employ both single-molecule and multi-molecule simulations of SDS to unravel the origins of the orientation effect. We report that the underlying graphite surface is sufficient to impose orientational bias on individual SDS molecules diffusing on the surface. This produces collective effects that give rise to the oriented hemi-micelles.

Monitoring of self-healing phenomena towards enhanced sustainability of historic mortars

NASA Astrophysics Data System (ADS)

Amenta, M.; Karatasios, I.; Maravelaki, P.; Kilikoglou, V.

2016-05-01

Mortars are known for their ability to heal their defects in an autogenic way. This phenomenon is expressed by the filling of microcracks by secondary products, restoring or enhancing the material's performance. Parameterization of self-healing phenomenon could be a key factor for the enhanced sustainability of these materials in terms of reduced repair cost and consumption of natural raw materials and thus reduced environmental fingerprint. The fact that this phenomenon takes place autogenously suggests that the material can self-repair its defects, without external intervention, thus leading to a prolonged life cycle. In the present study, the autogenic self-healing phenomenon was studied in natural hydraulic lime mortars, considering aspects of curing time before initial cracking, duration and conditions of the healing period. Furthermore, strength recovery due to autogenic self-healing was measured under high humidity conditions, and thermo-gravimetric analysis (DTA/TG) was performed in all specimens in order to quantitatively assess the available unreacted components in the binder at all ages. Regarding the microstructure of the healing phases, the main products formed during healing consist of calcite and various C-S-H/C-A-H phases. Depending on the parameters mentioned above, there is a wide diversity in the intensity, typology and topography of the secondary phases inside the cracks. The main differences discussed were observed between specimens cracked at very early age and those damaged after 30 days of curing. Similarly, the mechanical properties of the crack-healed specimens were associated with the above findings and especially with the available each-time amount of lime, determined by thermo-gravimetric analysis.

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

NASA Astrophysics Data System (ADS)

Good, Brian

2015-03-01

Ytterbium disilicate is of interest as a potential environmental barrier coating for aerospace applications, notably for use in next generation jet turbine engines. In such applications, the diffusion of oxygen and water vapor through these coatings is undesirable if high temperature corrosion is to be avoided. In an effort to understand the diffusion process in these materials, we have performed kinetic Monte Carlo simulations of vacancy-mediated oxygen diffusion in Ytterbium Disilicate. Oxygen vacancy site energies and diffusion barrier energies are computed using Density Functional Theory. We find that many potential diffusion paths involve large barrier energies, but some paths have barrier energies smaller than one electron volt. However, computed vacancy formation energies suggest that the intrinsic vacancy concentration is small in the pure material, with the result that the material is unlikely to exhibit significant oxygen permeability.

A Review of Recent Research on Mechanics of Multifunctional Materials and Structures

DTIC Science & Technology

2010-03-15

electrical and/or thermal conductivity, sensing and actuation, energy harvesting/storage, self - healing capability, and electromagnetic interference...conductivity 13 3.2 Sensing and actuation 15 3.3 Energy harvesting/storage 21 3.4 Self - healing capability 25 3.5...earlier by Zou, et al. [12]. Recent developments in self - healing polymeric materials were reviewed by Wu, et al. [13]. Articles on energy harvesting for

Self-healing polysaccharide-based hydrogels as injectable carriers for neural stem cells

PubMed Central

Wei, Zhao; Zhao, Jingyi; Chen, Yong Mei; Zhang, Pengbo; Zhang, Qiqing

2016-01-01

Self-healing injectable hydrogels can be formulated as three-dimensional carriers for the treatment of neurological diseases with desirable advantages, such as avoiding the potential risks of cell loss during injection, protecting cells from the shearing force of injection. However, the demands for biocompatible self-healing injectable hydrogels to meet above requirements and to promote the differentiation of neural stem cells (NSCs) into neurons remain a challenge. Herein, we developed a biocompatible self-healing polysaccharide-based hydrogel system as a novel injectable carrier for the delivery of NSCs. N-carboxyethyl chitosan (CEC) and oxidized sodium alginate (OSA) are the main backbones of the hydrogel networks, denoted as CEC-l-OSA hydrogel (“l” means “linked-by”). Owing to the dynamic imine cross-links formed by a Schiff reaction between amino groups on CEC and aldehyde groups on OSA, the hydrogel possesses the ability to self-heal into a integrity after being injected from needles under physiological conditions. The CEC-l-OSA hydrogel in which the stiffness mimicking nature brain tissues (100~1000 Pa) can be finely tuned to support the proliferation and neuronal differentiation of NSCs. The multi-functional, injectable, and self-healing CEC-l-OSA hydrogels hold great promises for NSC transplantation and further treatment of neurological diseases. PMID:27897217

Self-healing polysaccharide-based hydrogels as injectable carriers for neural stem cells

NASA Astrophysics Data System (ADS)

Wei, Zhao; Zhao, Jingyi; Chen, Yong Mei; Zhang, Pengbo; Zhang, Qiqing

2016-11-01

Self-healing injectable hydrogels can be formulated as three-dimensional carriers for the treatment of neurological diseases with desirable advantages, such as avoiding the potential risks of cell loss during injection, protecting cells from the shearing force of injection. However, the demands for biocompatible self-healing injectable hydrogels to meet above requirements and to promote the differentiation of neural stem cells (NSCs) into neurons remain a challenge. Herein, we developed a biocompatible self-healing polysaccharide-based hydrogel system as a novel injectable carrier for the delivery of NSCs. N-carboxyethyl chitosan (CEC) and oxidized sodium alginate (OSA) are the main backbones of the hydrogel networks, denoted as CEC-l-OSA hydrogel (“l” means “linked-by”). Owing to the dynamic imine cross-links formed by a Schiff reaction between amino groups on CEC and aldehyde groups on OSA, the hydrogel possesses the ability to self-heal into a integrity after being injected from needles under physiological conditions. The CEC-l-OSA hydrogel in which the stiffness mimicking nature brain tissues (100~1000 Pa) can be finely tuned to support the proliferation and neuronal differentiation of NSCs. The multi-functional, injectable, and self-healing CEC-l-OSA hydrogels hold great promises for NSC transplantation and further treatment of neurological diseases.

Effective Crack Control of Concrete by Self-Healing of Cementitious Composites Using Synthetic Fiber

PubMed Central

Choi, Heesup; Inoue, Masumi; Kwon, Sukmin; Choi, Hyeonggil; Lim, Myungkwan

2016-01-01

Although concrete is one of the most widely used construction materials, it is characterized by substantially low tensile strength in comparison to its compression strength, and the occurrence of cracks is unavoidable. In addition, cracks progress due to environmental conditions including damage by freezing, neutralization, and salt, etc. Moreover, detrimental damage can occur in concrete structures due to the permeation of deteriorating elements such as Cl− and CO2. Meanwhile, under an environment in which moisture is being supplied and if the width of the crack is small, a phenomenon of self-healing, in which a portion of the crack is filled in due to the rehydration of the cement particles and precipitation of CaCO3, is been confirmed. In this study, cracks in cementitious composite materials are effectively dispersed using synthetic fibers, and for cracks with a width of more than 0.1 mm, a review of the optimal self-healing conditions is conducted along with the review of a diverse range of self-healing performance factors. As a result, it was confirmed that the effective restoration of watertightness through the production of the majority of self-healing products was achieved by CaCO3 and the use of synthetic fibers with polarity, along with the effect of inducing a multiple number of hairline cracks. In addition, it was confirmed that the self-healing conditions of saturated Ca(OH)2 solution, which supplied CO2 micro-bubbles, displayed the most effective self-healing performance in the surface and internal sections of the cracks. PMID:28773372

Self-Healing Networks: Redundancy and Structure

PubMed Central

Quattrociocchi, Walter; Caldarelli, Guido; Scala, Antonio

2014-01-01

We introduce the concept of self-healing in the field of complex networks modelling; in particular, self-healing capabilities are implemented through distributed communication protocols that exploit redundant links to recover the connectivity of the system. We then analyze the effect of the level of redundancy on the resilience to multiple failures; in particular, we measure the fraction of nodes still served for increasing levels of network damages. Finally, we study the effects of redundancy under different connectivity patterns—from planar grids, to small-world, up to scale-free networks—on healing performances. Small-world topologies show that introducing some long-range connections in planar grids greatly enhances the resilience to multiple failures with performances comparable to the case of the most resilient (and least realistic) scale-free structures. Obvious applications of self-healing are in the important field of infrastructural networks like gas, power, water, oil distribution systems. PMID:24533065

Efficient kinetic Monte Carlo method for reaction-diffusion problems with spatially varying annihilation rates

NASA Astrophysics Data System (ADS)

Schwarz, Karsten; Rieger, Heiko

2013-03-01

We present an efficient Monte Carlo method to simulate reaction-diffusion processes with spatially varying particle annihilation or transformation rates as it occurs for instance in the context of motor-driven intracellular transport. Like Green's function reaction dynamics and first-passage time methods, our algorithm avoids small diffusive hops by propagating sufficiently distant particles in large hops to the boundaries of protective domains. Since for spatially varying annihilation or transformation rates the single particle diffusion propagator is not known analytically, we present an algorithm that generates efficiently either particle displacements or annihilations with the correct statistics, as we prove rigorously. The numerical efficiency of the algorithm is demonstrated with an illustrative example.

Self-healing polymers and composites based on thermal activation

NASA Astrophysics Data System (ADS)

Wang, Ying; Bolanos, Ed; Wudl, Fred; Hahn, Thomas; Kwok, Nathan

2007-04-01

Structural polymer composites are susceptible to premature failure in the form of microcracks in the matrix. Although benign initially when they form, these matrix cracks tend to coalesce and lead in service to critical damage modes such as ply delamination. The matrix cracks are difficult to detect and almost impossible to repair because they form inside the composite laminate. Therefore, polymers with self-healing capability would provide a promising potential to minimize maintenance costs while extending the service lifetime of composite structures. In this paper we report on a group of polymers and their composites which exhibit mendable property upon heating. The failure and healing mechanisms of the polymers involve Diels-Alder (DA) and retro-Diels-Alder (RDA) reactions on the polymer back-bone chain, which are thermally reversible reactions requiring no catalyst. The polymers exhibited good healing property in bulk form. Composite panels were prepared by sandwiching the monomers between carbon fiber fabric layers and cured in autoclave. Microcracks were induced on the resin-rich surface of composite with Instron machine at room temperature by holding at 1% strain for 1 min. The healing ability of the composite was also demonstrated by the disappearance of microcracks after heating. In addition to the self-healing ability, the polymers and composites also exhibited shape memory property. These unique properties may provide the material multi-functional applications. Resistance heating of traditional composites and its applicability in self-healing composites is also studied to lay groundwork for a fully integrated self-healing composite.

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite.

PubMed

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints.

Hybrid self-healing matrix using core-shell nanofibers and capsuleless microdroplets.

PubMed

Lee, Min Wook; An, Seongpil; Lee, Changmin; Liou, Minho; Yarin, Alexander L; Yoon, Sam S

2014-07-09

In this work, we developed novel self-healing anticorrosive hierarchical coatings that consist of several components. Namely, as a skeleton we prepared a core-shell nanofiber mat electrospun from emulsions of cure material (dimethyl methylhydrogen siloxane) in a poly(acrylonitrile) (PAN) solution in dimethylformamide. In these nanofibers, cure is in the core, while PAN is in the shell. The skeleton deposited on a protected surface is encased in an epoxy-based matrix, which contains emulsified liquid droplets of dimethylvinyl-terminated dimethylsiloxane resin monomer. When such hierarchical coatings are damaged, cure is released from the nanofiber cores and the resin monomer, released from the damaged matrix, is polymerized in the presence of cure. This polymerization and solidification process takes about 1-2 days and eventually heals the damaged material when solid poly(dimethylsiloxane) resin is formed. The self-healing effect was demonstrated using an electrochemical analogue of the scanning vibrating electrode technique. Damaged samples were left for 2 days. After that, the electric current through a damaged coating was found to be negligibly small for the samples with self-healing properties. On the other hand, for the samples without self-healing properties, the electric current was significant.

Experimental Study on Mechanical Properties and Porosity of Organic Microcapsules Based Self-Healing Cementitious Composite

PubMed Central

Wang, Xianfeng; Sun, Peipei; Han, Ningxu; Xing, Feng

2017-01-01

Encapsulation of healing agents embedded in a material matrix has become one of the major approaches for achieving self-healing function in cementitious materials in recent years. A novel type of microcapsules based self-healing cementitious composite was developed in Guangdong Provincial Key Laboratory of Durability for Marine Civil Engineering, Shenzhen University. In this study, both macro performance and the microstructure of the composite are investigated. The macro performance was evaluated by employing the compressive strength and the dynamic modulus, whereas the microstructure was represented by the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter, which are significantly correlated to the pore-size distribution and the compressive strength. The results showed that both the compressive strength and the dynamic modulus, as well as the pore structure parameters such as porosity, cumulative-pore volume, and average-pore diameter of the specimen decrease to some extent with the amount of microcapsules. However, the self-healing rate and the recovery rate of the specimen performance and the pore-structure parameters increase with the amount of microcapsules. The results should confirm the self-healing function of microcapsules in the cementitious composite from macroscopic and microscopic viewpoints. PMID:28772382

Microencapsulation of Self Healing Agents for Corrosion Control Coatings

NASA Technical Reports Server (NTRS)

Jolley, S. T.; Li, W.; Buhrow, J. W.; Calle, L. M.

2011-01-01

Corrosion, the environmentally induced degradation of materials, is a very costly problem that has a major impact on the global economy. Results from a 2-year breakthrough study released in 2002 by the U.S. Federal Highway Administration (FHWA) showed that the total annual estimated direct cost associated with metallic corrosion in nearly every U.S. industry sector was a staggering $276 billion, approximately 3.1% of the nation's Gross Domestic Product (GOP). Corrosion protective coatings are widely used to protect metallic structures from the detrimental effects of corrosion but their effectiveness can be seriously compromised by mechanical damage, such as a scratch, that exposes the metallic substrate. The incorporation of a self healing mechanism into a corrosion control coating would have the potential to significantly increase its effectiveness and useful lifetime. This paper describes work performed to incorporate a number of microcapsule-based self healing systems into corrosion control coatings. The work includes the preparation and evaluation of self-healing systems based on curable epoxy, acrylate, and siloxane resins, as well as, microencapsulated systems based on passive, solvent born, healing agent delivery. The synthesis and optimization of microcapsule-based self healing systems for thin coating (less than 100 micron) will be presented.

Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions

DOE PAGES

Benali, Anouar; Shulenburger, Luke; Romero, Nichols A.; ...

2014-06-12

Van der Waals forces are notoriously difficult to account for from first principles. We perform extensive calculation to assess the usefulness and validity of diffusion quantum Monte Carlo when applied to van der Waals forces. We present results for noble gas solids and clusters - archetypical van der Waals dominated assemblies, as well as a relevant pi-pi stacking supramolecular complex: DNA + intercalating anti-cancer drug Ellipticine.

Pressurized vascular systems for self-healing materials

PubMed Central

Hamilton, A. R.; Sottos, N. R.; White, S. R.

2012-01-01

An emerging strategy for creating self-healing materials relies on embedded vascular networks of microchannels to transport reactive fluids to regions of damage. Here we investigate the use of active pumping for the pressurized delivery of a two-part healing system, allowing a small vascular system to deliver large volumes of healing agent. Different pumping strategies are explored to improve the mixing and subsequent polymerization of healing agents in the damage zone. Significant improvements in the number of healing cycles and in the overall healing efficiency are achieved compared with prior passive schemes that use only capillary forces for the delivery of healing agents. At the same time, the volume of the vascular system required to achieve this superior healing performance is significantly reduced. In the best case, nearly full recovery of fracture toughness is attained throughout 15 cycles of damage and healing, with a vascular network constituting just 0.1 vol% of the specimen. PMID:21957119

Advanced self-healing asphalt composites in the pavement performance field: mechanisms at the nano level and new repairing methodologies.

PubMed

Agzenai, Yahya; Pozuelo, Javier; Sanz, Javier; Perez, Ignacio; Baselga, Juan

2015-01-01

In an effort to give a global view of this field of research, in this mini-review we highlight the most recent publications and patents focusing on modified asphalt pavements that contain certain reinforcing nanoparticles which impart desirable thermal, electrical and mechanical properties. In response to the increasing cost of asphalt binder and road maintenance, there is a need to look for alternative technologies and new asphalt composites, able to self-repair, for preserving and renewing the existing pavements. First, we will focus on the self-healing property of asphalt, the evidences that support that healing takes place immediately after the contact between the faces of a crack, and how the amount of healing can be measured in both the laboratory and the field. Next we review the hypothetical mechanisms of healing to understand the material behaviour and establish models to quantify the damage-healing process. Thereafter, we outline different technologies, nanotechnologies and methodologies used for self-healing paying particular attention to embedded micro-capsules, new nano-materials like carbon nanotubes and nano-fibres, ionomers, and microwave and induction heating processes.

A continuum thermo-inelastic model for damage and healing in self-healing glass materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Wei; Sun, Xin; Koeppel, Brian J.

Self-healing glass, a recent advancement in the class of smart sealing materials, has attracted great attention from both research and industrial communities because of its unique capability of repairing itself at elevated temperatures. However, further development and optimization of this material rely on a more fundamental and thorough understanding of its essential thermo-mechanical response characteristics, which is also pivotal in predicting the coupling and interactions between the nonlinear stress and temperature dependent damage and healing behaviors. In the current study, a continuum three-dimensional thermo-inelastic damage-healing constitutive framework has been developed for the compliant self-healing glass material. The important feature ofmore » the present model is that various phenomena governing the mechanical degradation and recovery process, i.e. the nucleation, growth, and healing of the cracks and pores, are described with distinct mechanism-driven kinetics, where the healing constitutive relations are propagated from lower-length scale simulations. The proposed formulations are implemented into finite element analyses and the effects of various loading conditions and material properties on the material’s mechanical resistance are investigated.« less

Ultrasonic Monitoring of the Interaction between Cement Matrix and Alkaline Silicate Solution in Self-Healing Systems.

PubMed

Ait Ouarabi, Mohand; Antonaci, Paola; Boubenider, Fouad; Gliozzi, Antonio S; Scalerandi, Marco

2017-01-07

Alkaline solutions, such as sodium, potassium or lithium silicates, appear to be very promising as healing agents for the development of encapsulated self-healing concretes. However, the evolution of their mechanical and acoustic properties in time has not yet been completely clarified, especially regarding their behavior and related kinetics when they are used in the form of a thin layer in contact with a hardened cement matrix. This study aims to monitor, using linear and nonlinear ultrasonic methods, the evolution of a sodium silicate solution interacting with a cement matrix in the presence of localized cracks. The ultrasonic inspection via linear methods revealed that an almost complete recovery of the elastic and acoustic properties occurred within a few days of healing. The nonlinear ultrasonic measurements contributed to provide further insight into the kinetics of the recovery due to the presence of the healing agent. A good regain of mechanical performance was ascertained through flexural tests at the end of the healing process, confirming the suitability of sodium silicate as a healing agent for self-healing cementitious systems.

[Results of Simulation Studies

NASA Technical Reports Server (NTRS)

2003-01-01

Lattice Monte Carlo and off-lattice molecular dynamics simulations of h(sub 1)t(sub 4) and h(sub 4)t(sub l) (head/tail) amphiphile solutions have been performed as a function of surfactant concentration and temperature. The lattice and off-lattice systems exhibit quite different self-assembly behavior at equivalent thermodynamic conditions. We found that in the weakly aggregating regime (no preferred-size micelles), all models yield similar micelle size distributions at the same average aggregation number, albeit at different thermodynamic conditions (temperatures). In the strongly aggregating regime, this mapping between models (through temperature adjustment) fails, and the models exhibit qualitatively different micellization behavior. Incipient micellization in a model self-associating telechelic polymer solution results in a network with a transient elastic response that decays by a two-step relaxation: the first is due to a heterogeneous jump-diffusion process involving entrapment of end-groups within well-defined clusters and this is followed by rapid diffusion to neighboring clusters and a decay (terminal relaxation) due to cluster disintegration. The viscoelastic response of the solution manifests characteristics of a glass transition and entangled polymer network.

Non-Chromate/No-VOC Coating System for DoD Applications

DTIC Science & Technology

2009-03-31

chromium species, at which point the corrosion protection capabilities suffer. Cr6+ is used everywhere that self - healing corrosion protection is...surface region in which the Cr6+ remains, forming a self - healing chemistry that re-protects if scratched. Thin (Class 3) chromate conversion layers are...olation polymer control color, thickness, and the self - healing property of the film [7]. TCP does not contain any free trivalent chromium and is free of

Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo

DOE PAGES

Mayers, Matthew Z.; Berkelbach, Timothy C.; Hybertsen, Mark S.; ...

2015-10-09

Ground-state diffusion Monte Carlo is used to investigate the binding energies and intercarrier radial probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition-metal dichalcogenide materials. We compare these results to approximate variational calculations, as well as to analogous Monte Carlo calculations performed with simplified carrier interaction potentials. Our results highlight the successes and failures of approximate approaches as well as the physical features that determine the stability of small carrier complexes in monolayer transition-metal dichalcogenide materials. In conclusion, we discuss points of agreement and disagreement with recent experiments.

Adhesion strength of norbornene-based self-healing agents to an amine-cured epoxy

NASA Astrophysics Data System (ADS)

Huang, Guang Chun; Lee, Jong Keun; Kessler, Michael R.; Yoon, Sungho

2009-07-01

Self-healing is triggered by crack propagation through embedded microcapsules in an epoxy matrix, which then release the liquid healing agent into the crack plane. Subsequent exposure of the healing agent to the chemical catalyst initiates ring-opening metathesis polymerization (ROMP) and bonding of the crack faces. In order to improve self-healing functionality, it is necessary to enhance adhesion of polymerized healing agent within the crack to the matrix resin. In this study, shear bond strength between different norbornene-based healing agents and an amine-cured epoxy resin was evaluated using the single lap shear test method (ASTM D3163, modified). The healing agents tested include endodicyclopentadiene (endo-DCPD), 5-ethylidene-2-norbornene (ENB) and DCPD/ENB blends. 5-Norbornene-2-methanol (NBM) was used as an adhesion promoter, containing hydroxyl groups to form hydrogen bonds with the amine-cured epoxy. A custom synthesized norbornene-based crosslinking agent was also added to improve adhesion for ENB by increasing the crosslinking density of the adhesive after ROMP. The healing agents were polymerized with varying loadings of the 1st generation Grubbs' catalyst at different reaction times and temperatures.

Relaxation and Self-Diffusion of a Polymer Chain in a Melt

NASA Astrophysics Data System (ADS)

Hagita, Katsumi; Takano, Hiroshi

2004-04-01

Relaxation and self-diffusion of a polymer chain in a melt are discussed on the basis of the results of our recent Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is considered. Polymer chains are located on an L × L × L simple cubic lattice under periodic boundary conditions. Each chain consists of N segments, each of which occupies 2 × 2 × 2 unit cells. The results for N = 32, 48, 64, 96, 128, 192, 256, 384 and 512 at the volume fraction φ ≃ 0.5 are examined, where L = 128 for N ⩽ 256 and L = 192 for N ⩾ 384. The longest relaxation time τ is estimated by solving generalized eigenvalue problems for the equilibrium time correlation matrices of the positions of segments of a polymer chain. The self-diffusion constant D is estimated from the mean square displacements of the center of mass of a single polymer chain at the times larger than τ. From the data for N = 256, 384 and 512, the apparent exponents x r and xd, which describe the power law dependences of τ and D on N as τ ∝ N xr and D ∝ N-xd, are estimated to be xr ≃ 3.5 and xd ≃ 2.4, respectively. For N = 192, 256, 384 and 512, Dτ/ appears to be a constant, where denotes the mean square end-to-end distance of a polymer chain.

Noninvasive assessment of diabetic foot ulcers with diffuse photon density wave methodology: pilot human study

NASA Astrophysics Data System (ADS)

Papazoglou, Elisabeth S.; Neidrauer, Michael; Zubkov, Leonid; Weingarten, Michael S.; Pourrezaei, Kambiz

2009-11-01

A pilot human study is conducted to evaluate the potential of using diffuse photon density wave (DPDW) methodology at near-infrared (NIR) wavelengths (685 to 830 nm) to monitor changes in tissue hemoglobin concentration in diabetic foot ulcers. Hemoglobin concentration is measured by DPDW in 12 human wounds for a period ranging from 10 to 61 weeks. In all wounds that healed completely, gradual decreases in optical absorption coefficient, oxygenated hemoglobin concentration, and total hemoglobin concentration are observed between the first and last measurements. In nonhealing wounds, the rates of change of these properties are nearly zero or slightly positive, and a statistically significant difference (p<0.05) is observed in the rates of change between healing and nonhealing wounds. Differences in the variability of DPDW measurements over time are observed between healing and nonhealing wounds, and this variance may also be a useful indicator of nonhealing wounds. Our results demonstrate that DPDW methodology with a frequency domain NIR device can differentiate healing from nonhealing diabetic foot ulcers, and indicate that it may have clinical utility in the evaluation of wound healing potential.

Life extension of self-healing polymers with rapidly growing fatigue cracks.

PubMed

Jones, A S; Rule, J D; Moore, J S; Sottos, N R; White, S R

2007-04-22

Self-healing polymers, based on microencapsulated dicyclopentadiene and Grubbs' catalyst embedded in the polymer matrix, are capable of responding to propagating fatigue cracks by autonomic processes that lead to higher endurance limits and life extension, or even the complete arrest of the crack growth. The amount of fatigue-life extension depends on the relative magnitude of the mechanical kinetics of crack propagation and the chemical kinetics of healing. As the healing kinetics are accelerated, greater fatigue life extension is achieved. The use of wax-protected, recrystallized Grubbs' catalyst leads to a fourfold increase in the rate of polymerization of bulk dicyclopentadiene and extends the fatigue life of a polymer specimen over 30 times longer than a comparable non-healing specimen. The fatigue life of polymers under extremely fast fatigue crack growth can be extended through the incorporation of periodic rest periods, effectively training the self-healing polymeric material to achieve higher endurance limits.

A Novel Design of Autonomously Healed Concrete: Towards a Vascular Healing Network

PubMed Central

Minnebo, Pieter; Thierens, Glenn; De Valck, Glenn; Van Tittelboom, Kim; De Belie, Nele; Van Hemelrijck, Danny; Tsangouri, Eleni

2017-01-01

Concrete is prone to crack formation in the tensile zone, which is why steel reinforcement is introduced in these zones. However, small cracks could still arise, which give liquids and gasses access to the reinforcement causing it to corrode. Self-healing concrete repairs and seals these small (300 µm) cracks, preventing the development of corrosion. In this study, a vascular system, carrying the healing agent, is developed. It consists of tubes connected to a 3D printed distribution piece. This distribution piece has four outlets that are connected to the tubes and has one inlet, which is accessible from outside. Several materials were considered for the tubes, i.e., polymethylmethacrylate, starch, inorganic phosphate cement and alumina. Three-point-bending and four-point-bending tests proved that self-healing and multiple self-healing is possible with this developed vascular system. PMID:28772409

Self-healing nanocomposite using shape memory polymer and carbon nanotubes

NASA Astrophysics Data System (ADS)

Liu, Yingtao; Rajadas, Abhishek; Chattopadhyay, Aditi

2013-04-01

Carbon fiber reinforced composites are used in a wide range of applications in aerospace, mechanical, and civil structures. Due to the nature of material, most damage in composites, such as delaminations, are always barely visible to the naked eye, which makes it difficult to detect and repair. The investigation of biological systems has inspired the development and characterization of self-healing composites. This paper presents the development of a new type of self-healing material in order to impede damage progression and conduct in-situ damage repair in composite structures. Carbon nanotubes, which are highly conductive materials, are mixed with shape memory polymer to develop self-healing capability. The developed polymeric material is applied to carbon fiber reinforced composites to automatically heal the delamination between different layers. The carbon fiber reinforced composite laminates are manufactured using high pressure molding techniques. Tensile loading is applied to double cantilever beam specimens using an MTS hydraulic test frame. A direct current power source is used to generate heat within the damaged area. The application of thermal energy leads to re-crosslinking in shape memory polymers. Experimental results showed that the developed composite materials are capable of healing the matrix cracks and delaminations in the bonded areas of the test specimens. The developed self-healing material has the potential to be used as a novel structural material in mechanical, civil, aerospace applications.

High-Temperature Self-Healing and Re-Adhering Geothermal Well Cement Composites

NASA Astrophysics Data System (ADS)

Pyatina, T.; Sugama, T.; Boodhan, Y.; Nazarov, L.

2017-12-01

Self-healing cementitious materials are particularly attractive for the cases where damaged areas are difficult to locate and reach. High-temperature geothermal wells with aggressive environments impose most difficult conditions on cements that must ensure durable zonal isolation under repeated thermal, chemical and mechanical stresses. The present work evaluates matrix and carbon steel (CS) - cement interface self-healing and re-adhering properties of various inorganic cementitious composites under steam, alkali carbonate or brine environments at 270-300oC applicable to geothermal wells. The composite materials included blends based on Ordinary Portland Cement (OPC) and natural zeolites and alkali or phosphate activated composites of Calcium Aluminate Cement (CAC) with fly ash, class F. Class G cement blend with crystalline silica was used as a baseline. Compressive-strength and bond-strength recoveries were examined to evaluate self-healing and re-adhering properties of the composites after repeated crush tests followed by 5-day healing periods in these environments. The optical and scanning electron microscopes, X-ray diffraction, Fourier Transform infrared, Raman spectroscopy and EDX measurements were used to identify phases participating in the strengths recoveries and cracks filling processes. Amorphous silica-rich- and small-size crystalline phases played an important role in the healing of the tested composites in all environments. Possible ways to enhance self-healing properties of cementitious composites under conditions of geothermal wells were identified.

Self-healing of drying shrinkage cracks in cement-based materials incorporating reactive MgO

NASA Astrophysics Data System (ADS)

Qureshi, T. S.; Al-Tabbaa, A.

2016-08-01

Excessive drying shrinkage is one of the major issues of concern for longevity and reduced strength performance of concrete structures. It can cause the formation of cracks in the concrete. This research aims to improve the autogenous self-healing capacity of traditional Portland cement (PC) systems, adding expansive minerals such as reactive magnesium oxide (MgO) in terms of drying shrinkage crack healing. Two different reactive grades (high ‘N50’and moderately high ‘92-200’) of MgO were added with PC. Cracks were induced in the samples with restraining end prisms through natural drying shrinkage over 28 days after casting. Samples were then cured under water for 28 and 56 days, and self-healing capacity was investigated in terms of mechanical strength recovery, crack sealing efficiency and improvement in durability. Finally, microstructures of the healing materials were investigated using FT-IR, XRD, and SEM-EDX. Overall N50 mixes show higher expansion and drying shrinkage compared to 92-200 mixes. Autogenous self-healing performance of the MgO containing samples were much higher compared to control (only PC) mixes. Cracks up to 500 μm were sealed in most MgO containing samples after 28 days. In the microstructural investigations, highly expansive Mg-rich hydro-carbonate bridges were found along with traditional calcium-based, self-healing compounds (calcite, portlandite, calcium silicate hydrates and ettringite).

Dual Sulfide-Disulfide Crosslinked Networks with Rapid and Room Temperature Self-Healability.

PubMed

An, So Young; Noh, Seung Man; Nam, Joon Hyun; Oh, Jung Kwon

2015-07-01

Polymer-based crosslinked networks with intrinsic self-repairing ability have emerged due to their built-in ability to repair physical damages. Here, novel dual sulfide-disulfide crosslinked networks (s-ssPxNs) are reported exhibiting rapid and room temperature self-healability within seconds to minutes, with no extra healing agents and no change under any environmental conditions. The method to synthesize these self-healable networks utilizes a combination of well-known crosslinking chemistry: photoinduced thiol-ene click-type radical addition, generating lightly sulfide-crosslinked polysulfide-based networks with excess thiols, and their oxidation, creating dynamic disulfide crosslinkages to yield the dual s-ssPxNs. The resulting s-ssPxN networks show rapid self-healing within 30 s to 30 min at room temperature, as well as self-healing elasticity with reversible viscoelastic properties. These results, combined with tunable self-healing kinetics, demonstrate the versatility of the method as a new means to synthesize smart multifunctional polymeric materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

One-dimensional model of interacting-step fluctuations on vicinal surfaces: Analytical formulas and kinetic Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Patrone, Paul N.; Einstein, T. L.; Margetis, Dionisios

2010-12-01

We study analytically and numerically a one-dimensional model of interacting line defects (steps) fluctuating on a vicinal crystal. Our goal is to formulate and validate analytical techniques for approximately solving systems of coupled nonlinear stochastic differential equations (SDEs) governing fluctuations in surface motion. In our analytical approach, the starting point is the Burton-Cabrera-Frank (BCF) model by which step motion is driven by diffusion of adsorbed atoms on terraces and atom attachment-detachment at steps. The step energy accounts for entropic and nearest-neighbor elastic-dipole interactions. By including Gaussian white noise to the equations of motion for terrace widths, we formulate large systems of SDEs under different choices of diffusion coefficients for the noise. We simplify this description via (i) perturbation theory and linearization of the step interactions and, alternatively, (ii) a mean-field (MF) approximation whereby widths of adjacent terraces are replaced by a self-consistent field but nonlinearities in step interactions are retained. We derive simplified formulas for the time-dependent terrace-width distribution (TWD) and its steady-state limit. Our MF analytical predictions for the TWD compare favorably with kinetic Monte Carlo simulations under the addition of a suitably conservative white noise in the BCF equations.

Statistical theory of diffusion in concentrated bcc and fcc alloys and concentration dependencies of diffusion coefficients in bcc alloys FeCu, FeMn, FeNi, and FeCr

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vaks, V. G.; Khromov, K. Yu., E-mail: khromov-ky@nrcki.ru; Pankratov, I. R.

2016-07-15

The statistical theory of diffusion in concentrated bcc and fcc alloys with arbitrary pairwise interatomic interactions based on the master equation approach is developed. Vacancy–atom correlations are described using both the second-shell-jump and the nearest-neighbor-jump approximations which are shown to be usually sufficiently accurate. General expressions for Onsager coefficients in terms of microscopic interatomic interactions and some statistical averages are given. Both the analytical kinetic mean-field and the Monte Carlo methods for finding these averages are described. The theory developed is used to describe sharp concentration dependencies of diffusion coefficients in several iron-based alloy systems. For the bcc alloys FeCu,more » FeMn, and FeNi, we predict the notable increase of the iron self-diffusion coefficient with solute concentration c, up to several times, even though values of c possible for these alloys do not exceed some percent. For the bcc alloys FeCr at high temperatures T ≳ 1400 K, we show that the very strong and peculiar concentration dependencies of both tracer and chemical diffusion coefficients observed in these alloys can be naturally explained by the theory, without invoking exotic models discussed earlier.« less

The diffusion of a Ga atom on GaAs(001)β2(2 × 4): Local superbasin kinetic Monte Carlo

NASA Astrophysics Data System (ADS)

Lin, Yangzheng; Fichthorn, Kristen A.

2017-10-01

We use first-principles density-functional theory to characterize the binding sites and diffusion mechanisms for a Ga adatom on the GaAs(001)β 2(2 × 4) surface. Diffusion in this system is a complex process involving eleven unique binding sites and sixteen different hops between neighboring binding sites. Among the binding sites, we can identify four different superbasins such that the motion between binding sites within a superbasin is much faster than hops exiting the superbasin. To describe diffusion, we use a recently developed local superbasin kinetic Monte Carlo (LSKMC) method, which accelerates a conventional kinetic Monte Carlo (KMC) simulation by describing the superbasins as absorbing Markov chains. We find that LSKMC is up to 4300 times faster than KMC for the conditions probed in this study. We characterize the distribution of exit times from the superbasins and find that these are sometimes, but not always, exponential and we characterize the conditions under which the superbasin exit-time distribution should be exponential. We demonstrate that LSKMC simulations assuming an exponential superbasin exit-time distribution yield the same diffusion coefficients as conventional KMC.

Armed Forces Institute of Regenerative Medicine

DTIC Science & Technology

2009-01-01

constructs healed faster than controls and were able to self -organize into skin that appeared almost identical to normal mouse skin. Research...mouse model using the device. They also determined that printed constructs healed faster than controls and were able to self - organize into skin...iiiAFIRM Annual Report 2009 IV Scarless Wound Healing IV-1 Background

Proteinaceous Resin and Hydrophilic Encapsulation: A Self-Healing-Related Study

NASA Astrophysics Data System (ADS)

Zheng, Ting

Inspired by living organisms, self-healing materials have been designed as smart materials. Their automatic healing nature is achieved through the use of capsule in which the healing agent is encapsulated. The occurrence of cracks leads to ripping of the capsule, along with crack propagation and release of the healing agent that wets the crack surface to eventually heal (bond) the crack. Such automatic repair of the crack significantly extends the service life of the material. A vast majority of existing self-healing systems have been designed for the epoxy matrix - the most common commercially used thermoset - that possesses low crack resistance. Currently, self-healing systems have not yet been introduced for fully protein-based materials, despite their great potential to replace currently used synthesis precursors for the latter and the eco-friendly nature of self-healing materials. This has been probably due to two major obstacles: poor mechanical properties of the protein-based matrix, and extreme difficulty associated with the encapsulation of hydrophilic healing agents suitable for the protein-based matrix. This study provides possible solutions towards addressing both these obstacles. To improve the inherent mechanical properties of protein-based resin, soy protein isolate (SPI) was chosen as the model in this study. Dialdehyde carboxymethyl cellulose (DCMC) was synthesized and used as the crosslinking agent to modify the SPI film. As-synthesized DCMC - a fully bio-based material - exhibited high mechanical strength, excellent thermal stability, and reduced moisture sensitivity. Good compatibility and effective crosslinking were believed to be the key reasons for such property enhancements. However, these were accompanied by poor crack resistance, where self-healing is a pertinent solution. A novel healing system for the protein matrix was designed in this work via the use of formaldehyde as a healing agent. Subsequently, the well-acknowledged challenge, e.g. hydrophilic agent encapsulation, was addressed through the development of novel polyurethane-Poly(melamine-formaldehyde) (PU-PMF) dual-component capsules. Remarkably, the external PU insulation layer was fabricated through interfacial polymerization based on a water-in-oil-in-oil (W/O/O) emulsion template. Surface tension was identified as the main driving factor for the formation of the external oil phase. The internal PMF layer was observed to strongly influence the internal morphology of the capsule. A protocol was developed, and a typical capsule with dense and neat shell morphology with a shell/capsule diameter (around 3 %) was fabricated. This study provides solutions for the two aforementioned obstacles related to the development of the healing system for the protein-based materials.

First-principles-based kinetic Monte Carlo studies of diffusion of hydrogen in Ni–Al and Ni–Fe binary alloys

DOE PAGES

Tafen, De Nyago

2015-02-14

The diffusion of dilute hydrogen in fcc Ni–Al and Ni–Fe binary alloys was examined using kinetic Monte Carlo method with input kinetic parameters obtained from first-principles density functional theory. The simulation involves the implementation of computationally efficient energy barrier model that describes the configuration dependence of the hydrogen hopping. The predicted hydrogen diffusion coefficients in Ni and Ni 89.4Fe 10.6 are compared well with the available experimental data. In Ni–Al, the model predicts lower hydrogen diffusivity compared to that in Ni. Overall, diffusion prefactors and the effective activation energies of H in Ni–Fe and Ni–Al are concentration dependent of themore » alloying element. Furthermore, the changes in their values are the results of the short-range order (nearest-neighbor) effect on the interstitial diffusion of hydrogen in fcc Ni-based alloys.« less

Ultrasensitive Wearable Soft Strain Sensors of Conductive, Self-healing, and Elastic Hydrogels with Synergistic "Soft and Hard" Hybrid Networks.

PubMed

Liu, Yan-Jun; Cao, Wen-Tao; Ma, Ming-Guo; Wan, Pengbo

2017-08-02

Robust, stretchable, and strain-sensitive hydrogels have recently attracted immense research interest because of their potential application in wearable strain sensors. The integration of the synergistic characteristics of decent mechanical properties, reliable self-healing capability, and high sensing sensitivity for fabricating conductive, elastic, self-healing, and strain-sensitive hydrogels is still a great challenge. Inspired by the mechanically excellent and self-healing biological soft tissues with hierarchical network structures, herein, functional network hydrogels are fabricated by the interconnection between a "soft" homogeneous polymer network and a "hard" dynamic ferric (Fe 3+ ) cross-linked cellulose nanocrystals (CNCs-Fe 3+ ) network. Under stress, the dynamic CNCs-Fe 3+ coordination bonds act as sacrificial bonds to efficiently dissipate energy, while the homogeneous polymer network leads to a smooth stress-transfer, which enables the hydrogels to achieve unusual mechanical properties, such as excellent mechanical strength, robust toughness, and stretchability, as well as good self-recovery property. The hydrogels demonstrate autonomously self-healing capability in only 5 min without the need of any stimuli or healing agents, ascribing to the reorganization of CNCs and Fe 3+ via ionic coordination. Furthermore, the resulted hydrogels display tunable electromechanical behavior with sensitive, stable, and repeatable variations in resistance upon mechanical deformations. Based on the tunable electromechanical behavior, the hydrogels can act as a wearable strain sensor to monitor finger joint motions, breathing, and even the slight blood pulse. This strategy of building synergistic "soft and hard" structures is successful to integrate the decent mechanical properties, reliable self-healing capability, and high sensing sensitivity together for assembling a high-performance, flexible, and wearable strain sensor.

Damage properties simulations of self-healing composites.

PubMed

Chen, Cheng; Ji, Hongwei; Wang, Huaiwen

2013-10-01

Self-healing materials are inspired by biological systems in which damage triggers an autonomic healing response. The damage properties of a self-healing polymer composite were investigated by numerical simulation in this paper. Unit cell models with single-edge centered crack and single-edge off-centered crack were employed to investigate the damage initiation and crack evolution by the extended finite element method (XFEM) modeling. The effect of microcapsule's Young's modulus on composites was investigated. Result indicates the microcapsule's Young's modulus has little effect on the unit cell's carrying capacity. It was found that during the crack propagation process, its direction is attracted toward the microcapsules, which makes it helpful for the microcapsules to be ruptured by the propagating crack fronts resulting in release of the healing agent into the cracks by capillary action.

An experimental study of the self-healing behavior of ionomeric systems under ballistic impact tests

NASA Astrophysics Data System (ADS)

Grande, A. M.; Coppi, S.; Di Landro, L.; Sala, G.; Giacomuzzo, C.; Francesconi, A.; Rahman, M. A.

2012-04-01

This research deals with the investigation of the self-healing behavior after ballistic damage of ethylene-methacrylic acid ionomers and theirs blends with epoxidized natural rubber (ENR). The self-healing capability was studied by ballistic puncture tests under different experimental conditions as sample thickness, bullet speed, diameter and shape. Bullet speed ranging from few hundreds meters per second to few km/s were employed. The healing efficiency was evaluated by applying a pressure gradient trough the plates and by checking for possible flow at the damage zone. A morphology analysis of the impact area was made observing all samples by scanning electron microscope.

Self-Healing Technologies for Wiring and Surfaces in Aerospace and Deep Space Exploration Applications

NASA Technical Reports Server (NTRS)

Williams, Martha Kay; Gibson, Tracy L.; Jolley, Scott T.; Caraccio-Meier, Anne Joan

2017-01-01

Self-healing technologies have been identified as critical technology gaps for future exploration. NASA and KSC have been working in this area for multiple years with established intellectual property; however, there are many challenges that remain in this area of research. How do we mimic what the body does so naturally when we as NASA have unique requirements? We have been investigating several mechanisms for self-healing: microencapsulation with a healant core to fill in voids in the case of mechanical puncture and flowable (or sealable)systems that have inherent chemical properties that allow the materials to flow back together when cut or damaged. The microcapsules containing healant have to be durable and robust, must be able to take high temperatures to meet NASA unique requirements, provide good capillary flow of the healant, and be small in diameters to fill in damage voids in thin films or surfaces. Sealable systems have to flow in a range of temperatures and yet be lightweight and chemically resistant. The systems currently being developed are based on polyimide and polyurethane matrices and have been studied for use in high performance wiring systems, inflatable systems, and habitation structures. Self-healing or self-sealing capability would significantly reduce maintenance requirements and increase the safety and reliability performance of critical systems. Advances in these self-healing technologies and some of the unique challenges needed to be overcome in order to incorporate a self-healing mechanism into wiring or thin films systems will be addressed.

Design of Self-Healing Supramolecular Rubbers by Introducing Ionic Cross-Links into Natural Rubber via a Controlled Vulcanization.

PubMed

Xu, Chuanhui; Cao, Liming; Lin, Baofeng; Liang, Xingquan; Chen, Yukun

2016-07-13

Introducing ionic associations is one of the most effective approaches to realize a self-healing behavior for rubbers. However, most of commercial rubbers are nonpolar rubbers without now available functional groups to be converted into ionic groups. In this paper, our strategy was based on a controlled peroxide-induced vulcanization to generate massive ionic cross-links via polymerization of zinc dimethacrylate (ZDMA) in natural rubber (NR) and exploited it as a potential self-healable material. We controlled vulcanization process to retard the formation of covalent cross-link network, and successfully generated a reversible supramolecular network mainly constructed by ionic cross-links. Without the restriction of covalent cross-linkings, the NR chains in ionic supramolecular network had good flexibility and mobility. The nature that the ionic cross-links was easily reconstructed and rearranged facilitating the self-healing behavior, thereby enabling a fully cut sample to rejoin and retain to its original properties after a suitable self-healing process at ambient temperature. This study thus demonstrates a feasible approach to impart an ionic association induced self-healing function to commercial rubbers without ionic functional groups.

Skin-Inspired Multifunctional Autonomic-Intrinsic Conductive Self-Healing Hydrogels with Pressure Sensitivity, Stretchability, and 3D Printability.

PubMed

Darabi, Mohammad Ali; Khosrozadeh, Ali; Mbeleck, Rene; Liu, Yuqing; Chang, Qiang; Jiang, Junzi; Cai, Jun; Wang, Quan; Luo, Gaoxing; Xing, Malcolm

2017-08-01

The advent of conductive self-healing (CSH) hydrogels, a class of novel materials mimicking human skin, may change the trajectory of the industrial process because of their potential applications in soft robots, biomimetic prostheses, and health-monitoring systems. Here, the development of a mechanically and electrically self-healing hydrogel based on physically and chemically cross-linked networks is reported. The autonomous intrinsic self-healing of the hydrogel is attained through dynamic ionic interactions between carboxylic groups of poly(acrylic acid) and ferric ions. A covalent cross-linking is used to support the mechanical structure of the hydrogel. Establishing a fair balance between the chemical and physical cross-linking networks together with the conductive nanostructure of polypyrrole networks leads to a double network hydrogel with bulk conductivity, mechanical and electrical self-healing properties (100% mechanical recovery in 2 min), ultrastretchability (1500%), and pressure sensitivity. The practical potential of CSH hydrogels is further revealed by their application in human motion detection and their 3D-printing performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Initial Self-Healing Temperatures of Asphalt Mastics Based on Flow Behavior Index.

PubMed

Li, Chao; Wu, Shaopeng; Tao, Guanyu; Xiao, Yue

2018-05-29

Increasing temperature is a simple and convenient method to accelerate the self-healing process of bitumen. However, bitumen may not achieve the healing capability at lower temperature, and may be aged if temperature is too high. In addition, the bitumen is mixed with mineral filler and formed as asphalt mastic in asphalt concrete, so it is more accurate to study the initial self-healing from the perspective of asphalt mastic. The primary purpose of this research was to examine the initial self-healing temperature of asphalt mastic, which was determined by the flow behavior index obtained from the flow characteristics. Firstly, the texture and geometry characteristics of two fillers were analyzed, and then the initial self-healing temperature of nine types of asphalt mastic, pure bitumen (PB) and styrene-butadiene-styrene (SBS) modified bitumen were determined by the flow behavior index. Results demonstrate that the average standard deviation of gray-scale texture value of limestone filler (LF) is 21.24% lower than that of steel slag filler (SSF), showing that the steel slag filler has a better particle distribution and geometry characteristics. Also the initial self-healing temperatures of asphalt mastics with 0.2, 0.4 and 0.6 LF-PB volume ratio are 46.5 °C, 47.2 °C and 49.4 °C, which are 1.4 °C, 0.8 °C and 0.4 °C higher than that of asphalt mastics with SSF-PB, but not suitable for the evaluation of asphalt mastic contained SBS modified bitumen because of unique structure and performance of SBS.

Self-protected nitrate reducing culture for intrinsic repair of concrete cracks.

PubMed

Erşan, Yusuf Ç; Gruyaert, Elke; Louis, Ghislain; Lors, Christine; De Belie, Nele; Boon, Nico

2015-01-01

Attentive monitoring and regular repair of concrete cracks are necessary to avoid further durability problems. As an alternative to current maintenance methods, intrinsic repair systems which enable self-healing of cracks have been investigated. Exploiting microbial induced CaCO3 precipitation (MICP) using (protected) axenic cultures is one of the proposed methods. Yet, only a few of the suggested healing agents were economically feasible for in situ application. This study presents a [Formula: see text] reducing self-protected enrichment culture as a self-healing additive for concrete. Concrete admixtures Ca(NO3)2 and Ca(HCOO)2 were used as nutrients. The enrichment culture, grown as granules (0.5-2 mm) consisting of 70% biomass and 30% inorganic salts were added into mortar without any additional protection. Upon 28 days curing, mortar specimens were subjected to direct tensile load and multiple cracks (0.1-0.6 mm) were achieved. Cracked specimens were immersed in water for 28 days and effective crack closure up to 0.5 mm crack width was achieved through calcite precipitation. Microbial activity during crack healing was monitored through weekly NOx analysis which revealed that 92 ± 2% of the available [Formula: see text] was consumed. Another set of specimens were cracked after 6 months curing, thus the effect of curing time on healing efficiency was investigated, and mineral formation at the inner crack surfaces was observed, resulting in 70% less capillary water absorption compared to healed control specimens. In conclusion, enriched mixed denitrifying cultures structured in self-protecting granules are very promising strategies to enhance microbial self-healing.

Self-protected nitrate reducing culture for intrinsic repair of concrete cracks

PubMed Central

Erşan, Yusuf Ç.; Gruyaert, Elke; Louis, Ghislain; Lors, Christine; De Belie, Nele; Boon, Nico

2015-01-01

Attentive monitoring and regular repair of concrete cracks are necessary to avoid further durability problems. As an alternative to current maintenance methods, intrinsic repair systems which enable self-healing of cracks have been investigated. Exploiting microbial induced CaCO3 precipitation (MICP) using (protected) axenic cultures is one of the proposed methods. Yet, only a few of the suggested healing agents were economically feasible for in situ application. This study presents a NO3− reducing self-protected enrichment culture as a self-healing additive for concrete. Concrete admixtures Ca(NO3)2 and Ca(HCOO)2 were used as nutrients. The enrichment culture, grown as granules (0.5–2 mm) consisting of 70% biomass and 30% inorganic salts were added into mortar without any additional protection. Upon 28 days curing, mortar specimens were subjected to direct tensile load and multiple cracks (0.1–0.6 mm) were achieved. Cracked specimens were immersed in water for 28 days and effective crack closure up to 0.5 mm crack width was achieved through calcite precipitation. Microbial activity during crack healing was monitored through weekly NOx analysis which revealed that 92 ± 2% of the available NO3− was consumed. Another set of specimens were cracked after 6 months curing, thus the effect of curing time on healing efficiency was investigated, and mineral formation at the inner crack surfaces was observed, resulting in 70% less capillary water absorption compared to healed control specimens. In conclusion, enriched mixed denitrifying cultures structured in self-protecting granules are very promising strategies to enhance microbial self-healing. PMID:26583015

Autonomous self-healing structural composites with bio-inspired design

PubMed Central

D’Elia, Eleonora; Eslava, Salvador; Miranda, Miriam; Georgiou, Theoni K.; Saiz, Eduardo

2016-01-01

Strong and tough natural composites such as bone, silk or nacre are often built from stiff blocks bound together using thin interfacial soft layers that can also provide sacrificial bonds for self-repair. Here we show that it is possible exploit this design in order to create self-healing structural composites by using thin supramolecular polymer interfaces between ceramic blocks. We have built model brick-and-mortar structures with ceramic contents above 95 vol% that exhibit strengths of the order of MPa (three orders of magnitude higher than the interfacial polymer) and fracture energies that are two orders of magnitude higher than those of the glass bricks. More importantly, these properties can be fully recovered after fracture without using external stimuli or delivering healing agents. This approach demonstrates a very promising route towards the design of strong, ideal self-healing materials able to self-repair repeatedly without degradation or external stimuli. PMID:27146382

Unveiling the molecular mechanism of self-healing in a telechelic, supramolecular polymer network

PubMed Central

Yan, Tingzi; Schröter, Klaus; Herbst, Florian; Binder, Wolfgang H.; Thurn-Albrecht, Thomas

2016-01-01

Reversible polymeric networks can show self-healing properties due to their ability to reassemble after application of stress and fracture, but typically the relation between equilibrium molecular dynamics and self-healing kinetics has been difficult to disentangle. Here we present a well-characterized, self-assembled bulk network based on supramolecular assemblies, that allows a clear distinction between chain dynamics and network relaxation. Small angle x-ray scattering and rheological measurements provide evidence for a structurally well-defined, dense network of interconnected aggregates giving mechanical strength to the material. Different from a covalent network, the dynamic character of the supramolecular bonds enables macroscopic flow on a longer time scale and the establishment of an equilibrium structure. A combination of linear and nonlinear rheological measurements clearly identifies the terminal relaxation process as being responsible for the process of self-healing. PMID:27581380

Autonomous self-healing structural composites with bio-inspired design.

PubMed

D'Elia, Eleonora; Eslava, Salvador; Miranda, Miriam; Georgiou, Theoni K; Saiz, Eduardo

2016-05-05

Strong and tough natural composites such as bone, silk or nacre are often built from stiff blocks bound together using thin interfacial soft layers that can also provide sacrificial bonds for self-repair. Here we show that it is possible exploit this design in order to create self-healing structural composites by using thin supramolecular polymer interfaces between ceramic blocks. We have built model brick-and-mortar structures with ceramic contents above 95 vol% that exhibit strengths of the order of MPa (three orders of magnitude higher than the interfacial polymer) and fracture energies that are two orders of magnitude higher than those of the glass bricks. More importantly, these properties can be fully recovered after fracture without using external stimuli or delivering healing agents. This approach demonstrates a very promising route towards the design of strong, ideal self-healing materials able to self-repair repeatedly without degradation or external stimuli.

Autonomous self-healing structural composites with bio-inspired design

NASA Astrophysics Data System (ADS)

D'Elia, Eleonora; Eslava, Salvador; Miranda, Miriam; Georgiou, Theoni K.; Saiz, Eduardo

2016-05-01

Strong and tough natural composites such as bone, silk or nacre are often built from stiff blocks bound together using thin interfacial soft layers that can also provide sacrificial bonds for self-repair. Here we show that it is possible exploit this design in order to create self-healing structural composites by using thin supramolecular polymer interfaces between ceramic blocks. We have built model brick-and-mortar structures with ceramic contents above 95 vol% that exhibit strengths of the order of MPa (three orders of magnitude higher than the interfacial polymer) and fracture energies that are two orders of magnitude higher than those of the glass bricks. More importantly, these properties can be fully recovered after fracture without using external stimuli or delivering healing agents. This approach demonstrates a very promising route towards the design of strong, ideal self-healing materials able to self-repair repeatedly without degradation or external stimuli.

Measuring the self-healing of the spatially inhomogeneous states of polarization of vector Bessel beams

NASA Astrophysics Data System (ADS)

Milione, Giovanni; Dudley, Angela; Nguyen, Thien An; Chakraborty, Ougni; Karimi, Ebrahim; Forbes, Andrew; Alfano, Robert R.

2015-03-01

We experimentally measured the self-healing of the spatially inhomogeneous states of polarization of vector Bessel beams. Radially and azimuthally polarized vector Bessel beams were experimentally generated via a digital version of Durnin's method, using a spatial light modulator in concert with a liquid crystal q-plate. As a proof of principle, their intensities and spatially inhomogeneous states of polarization were experimentally measured using Stokes polarimetry as they propagated through two disparate obstructions. It was found, similar to their intensities, that their spatially inhomogeneous states of polarization self-healed. The self-healing can be understood via geometric optics, i.e., the interference of the unobstructed conical rays in the shadow region of the obstruction, and may have applications in, for example, optical trapping.

Monte Carlo charged-particle tracking and energy deposition on a Lagrangian mesh.

PubMed

Yuan, J; Moses, G A; McKenty, P W

2005-10-01

A Monte Carlo algorithm for alpha particle tracking and energy deposition on a cylindrical computational mesh in a Lagrangian hydrodynamics code used for inertial confinement fusion (ICF) simulations is presented. The straight line approximation is used to follow propagation of "Monte Carlo particles" which represent collections of alpha particles generated from thermonuclear deuterium-tritium (DT) reactions. Energy deposition in the plasma is modeled by the continuous slowing down approximation. The scheme addresses various aspects arising in the coupling of Monte Carlo tracking with Lagrangian hydrodynamics; such as non-orthogonal severely distorted mesh cells, particle relocation on the moving mesh and particle relocation after rezoning. A comparison with the flux-limited multi-group diffusion transport method is presented for a polar direct drive target design for the National Ignition Facility. Simulations show the Monte Carlo transport method predicts about earlier ignition than predicted by the diffusion method, and generates higher hot spot temperature. Nearly linear speed-up is achieved for multi-processor parallel simulations.

Healing microstructures of experimental and natural fault gouge

NASA Astrophysics Data System (ADS)

Keulen, Nynke; Stünitz, Holger; Heilbronner, RenéE.

2008-06-01

The healing of fault gouge was studied by examining microstructures of naturally and experimentally produced granitoid fault rock. We performed deformation experiments on intact granitoid rock samples at T = 300-500°C, Pc = 500 MPa, and ? = 1.2 × 10-4 - 1.3 × 10-7 s-1 with 0.2 wt% H2O added. Healing experiments were carried out on deformed samples at T = 200-500°C, Pc = 500 MPa, for 4 h to 14 days under hydrostatic and nonhydrostatic conditions. The grain size distributions (GSD) of the deformed samples were quantified using the D> value (slope of log(frequency) -log(radius) of the GSD) for quartz and feldspar fault gouge. Healing causes a decrease in the D> value from >2.0 to ˜1.5. The time dependence of the D> decrease is described by a hydrostatic healing law of the form ΔD = D>(t) - Df = A · e(-λ·t). The results of the laboratory experiments were compared to three natural fault systems, (1) Nojima Fault Zone (Japan), (2) fault zones in the Black Forest (Germany), and (3) Orobic Thrust (Italian Alps). Natural and experimental gouges have similar D> values. Healing is only observed in monomineralic aggregates; polymineralic (i.e., mixed) fault gouges retain their high D> value after extended healing times because grain growth is inhibited. Healing under nonhydrostatic conditions is more rapid than hydrostatic healing. The low strain rates, which were measured during nonhydrostatic healing, are temperature-dependent and suggest that diffusive mass transfer processes take place during deformation. Thus, fault rocks at upper to midcrustal depth may deform by combined cataclasis and diffusive mass transfer.

Atomistic models of vacancy-mediated diffusion in silicon

NASA Astrophysics Data System (ADS)

Dunham, Scott T.; Wu, Can Dong

1995-08-01

Vacancy-mediated diffusion of dopants in silicon is investigated using Monte Carlo simulations of hopping diffusion, as well as analytic approximations based on atomistic considerations. Dopant/vacancy interaction potentials are assumed to extend out to third-nearest neighbor distances, as required for pair diffusion theories. Analysis focusing on the third-nearest neighbor sites as bridging configurations for uncorrelated hops leads to an improved analytic model for vacancy-mediated dopant diffusion. The Monte Carlo simulations of vacancy motion on a doped silicon lattice verify the analytic results for moderate doping levels. For very high doping (≳2×1020 cm-3) the simulations show a very rapid increase in pair diffusivity due to interactions of vacancies with more than one dopant atom. This behavior has previously been observed experimentally for group IV and V atoms in silicon [Nylandsted Larsen et al., J. Appl. Phys. 73, 691 (1993)], and the simulations predict both the point of onset and doping dependence of the experimentally observed diffusivity enhancement.

A highly stretchable autonomous self-healing elastomer

NASA Astrophysics Data System (ADS)

Li, Cheng-Hui; Wang, Chao; Keplinger, Christoph; Zuo, Jing-Lin; Jin, Lihua; Sun, Yang; Zheng, Peng; Cao, Yi; Lissel, Franziska; Linder, Christian; You, Xiao-Zeng; Bao, Zhenan

2016-06-01

It is a challenge to synthesize materials that possess the properties of biological muscles—strong, elastic and capable of self-healing. Herein we report a network of poly(dimethylsiloxane) polymer chains crosslinked by coordination complexes that combines high stretchability, high dielectric strength, autonomous self-healing and mechanical actuation. The healing process can take place at a temperature as low as -20 °C and is not significantly affected by surface ageing and moisture. The crosslinking complexes used consist of 2,6-pyridinedicarboxamide ligands that coordinate to Fe(III) centres through three different interactions: a strong pyridyl-iron one, and two weaker carboxamido-iron ones through both the nitrogen and oxygen atoms of the carboxamide groups. As a result, the iron-ligand bonds can readily break and re-form while the iron centres still remain attached to the ligands through the stronger interaction with the pyridyl ring, which enables reversible unfolding and refolding of the chains. We hypothesize that this behaviour supports the high stretchability and self-healing capability of the material.

Work Loop and Ashby Charts of Active Materials

DTIC Science & Technology

2013-10-17

constructed to show performance metrics (e.g., actuation stress, actuation strain, self - healing ) of iron-loaded compositions compared to other active...24,000 cycles at 80 Hz without change in strain characteristics. Self - healing of Magpol prepared using ferrite nanoparticles of different Curie...silicone) was selected as the polymer matrix due to its good flexibility and   reasonable environmental stability.  Self   healing  Magpol was synthesized by

A Novel and Non-Cytotoxic Self-Healing Supramolecular Elastomer Synthesized with Small Molecular Biological Acids.

PubMed

Liu, Ling; Pan, Cheng; Zhang, Liqun; Guo, Baochun

2016-10-01

A novel and non-cytotoxic self-healing supramolecular elastomer (SE) is synthesized with small-molecular biological acids by hydrogen-bonding interactions. The synthesized SEs behave as rubber at room temperature without additional plasticizers or crosslinkers, which is attributed to the phase-separated structure. The SE material exhibits outstanding self-healing capability at room temperature and essential non-cytotoxicity, which makes it a potential candidate for biomedical applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Self-healing of damage inside metals triggered by electropulsing stimuli.

PubMed

Song, Hui; Wang, Zhong-Jin; He, Xiao-Dong; Duan, Jie

2017-08-02

The microscopic defects that distributed randomly in metals are not only hard to detect, but also may inevitably cause catastrophic failure. Thus, autonomic probing and healing for damage inside metals continue to be a challenging. Here we show a novel approach for self-healing using electropulsing as a stimulus to trigger repairing of damaged metals. This is achieved via a process that through expelling absolutely currents, the microcrack causes them to be redistributed to form a concentrated and a diluted region around it, thereby inducing an extremely high temperature gradient and a large compressive stress, which drive material flow to close microcracks. Simultaneously, a large enough heat for bonding atoms was produced. That is, the microcrack as an empty cavity can be regarded as a special micro-device to shape a localized microscopic energy field, which in turn activates a healing process. The microstructure and mechanical property verified the extrinsic self-healing of a titanium alloy. The process is performed on a short timescale, is enable to detect automatically and act directly on the internal defects in metals, and to heal damage without any healing agent, long time heating as well as applied high pressure, offering unique advantages over conventional healing approaches.

Crack Healing Performance of PVA-Coated Granules Made of Cement, CSA, and Na2CO3 in the Cement Matrix

PubMed Central

Lee, Yong-Soo; Ryou, Jae-Suk

2016-01-01

Various self-healing methods for concrete, such as the use of supplementary cementitious materials, adhesive agents, mineral admixtures, and bacteria, have been suggested to date, and each of these has merits and demerits. Among these, however, the use of cementitious materials may be appropriate due to their good healing efficiency, low cost, and compatibility with the cement matrix. In this study, granulation and coating methods were applied to a new cementitious composite material. The self-healing property of these materials was controlled by the polyvinyl alcohol (PVA) coating until cracks were created. Water dissolved the PVA coating after entering through the cracks, and reacted with the healing materials to generate healing products. The self-healing performance was evaluated at various elapsed times through the measurement of the crack widths, visual observation, and examination of the microscopic images. Simultaneously, a water permeability test was performed and the dynamic modulus of elasticity was measured to verify the recovery of the cracks. In addition, the healing products that had been formed in the cracks were analyzed via X-ray diffraction (XRD) and scanning electron microscopy (SEM). PMID:28773677

Crack Healing Performance of PVA-Coated Granules Made of Cement, CSA, and Na₂CO₃ in the Cement Matrix.

PubMed

Lee, Yong-Soo; Ryou, Jae-Suk

2016-07-09

Various self-healing methods for concrete, such as the use of supplementary cementitious materials, adhesive agents, mineral admixtures, and bacteria, have been suggested to date, and each of these has merits and demerits. Among these, however, the use of cementitious materials may be appropriate due to their good healing efficiency, low cost, and compatibility with the cement matrix. In this study, granulation and coating methods were applied to a new cementitious composite material. The self-healing property of these materials was controlled by the polyvinyl alcohol (PVA) coating until cracks were created. Water dissolved the PVA coating after entering through the cracks, and reacted with the healing materials to generate healing products. The self-healing performance was evaluated at various elapsed times through the measurement of the crack widths, visual observation, and examination of the microscopic images. Simultaneously, a water permeability test was performed and the dynamic modulus of elasticity was measured to verify the recovery of the cracks. In addition, the healing products that had been formed in the cracks were analyzed via X-ray diffraction (XRD) and scanning electron microscopy (SEM).

Assessment of Composite Delamination Self-Healing Under Cyclic Loading

NASA Technical Reports Server (NTRS)

O'Brien, T. Kevin

2009-01-01

Recently, the promise of self-healing materials for enhanced autonomous durability has been introduced using a micro-encapsulation technique where a polymer based healing agent is encapsulated in thin walled spheres and embedded into a base polymer along with a catalyst phase. For this study, composite skin-stiffener flange debonding specimens were manufactured from composite prepreg containing interleaf layers with a polymer based healing agent encapsulated in thin-walled spheres. Constant amplitude fatigue tests in three-point bending showed the effect of self-healing on the fatigue response of the skin-stiffener flange coupons. After the cycling that created debonding, fatigue tests were held at the mean load for 24 hours. For roughly half the specimens tested, when the cyclic loading was resumed a decrease in compliance (increase in stiffness) was observed, indicating that some healing had occurred. However, with continued cycling, the specimen compliance eventually increased to the original level before the hold, indicating that the damage had returned to its original state. As was noted in a prevoius study conducted with specimens tested under monotonically increasing loads to failure, healing achieved via the micro-encapsulation technique may be limited to the volume of healing agent available relative to the crack volume.

UV-Triggered Self-Healing of a Single Robust SiO2 Microcapsule Based on Cationic Polymerization for Potential Application in Aerospace Coatings.

PubMed

Guo, Wanchun; Jia, Yin; Tian, Kesong; Xu, Zhaopeng; Jiao, Jiao; Li, Ruifei; Wu, Yuehao; Cao, Ling; Wang, Haiyan

2016-08-17

UV-triggered self-healing of single microcapsules has been a good candidate to enhance the life of polymer-based aerospace coatings because of its rapid healing process and healing chemistry based on an accurate stoichiometric ratio. However, free radical photoinitiators used in single microcapsules commonly suffer from possible deactivation due to the presence of oxygen in the space environment. Moreover, entrapment of polymeric microcapsules into coatings often involves elevated temperature or a strong solvent, probably leading to swelling or degradation of polymer shell, and ultimately the loss of active healing species into the host matrix. We herein describe the first single robust SiO2 microcapsule self-healing system based on UV-triggered cationic polymerization for potential application in aerospace coatings. On the basis of the similarity of solubility parameters of the active healing species and the SiO2 precursor, the epoxy resin and cationic photoinitiator are successfully encapsulated into a single SiO2 microcapsule via a combined interfacial/in situ polymerization. The single SiO2 microcapsule shows solvent resistance and thermal stability, especially a strong resistance for thermal cycling in a simulated space environment. In addition, the up to 89% curing efficiency of the epoxy resin in 30 min, and the obvious filling of scratches in the epoxy matrix demonstrate the excellent UV-induced healing performance of SiO2 microcapsules, attributed to a high load of healing species within the capsule (up to 87 wt %) and healing chemistry based on an accurate stoichiometric ratio of the photoinitiator and epoxy resin at 9/100. More importantly, healing chemistry based on a UV-triggered cationic polymerization mechanism is not sensitive to oxygen, extremely facilitating future embedment of this single SiO2 microcapsule in spacecraft coatings to achieve self-healing in a space environment with abundant UV radiation and oxygen.

Electromagnetic Wave Absorption Coating Material with Self-Healing Properties.

PubMed

Wang, Ya-Min; Pan, Min; Liang, Xiang-Yong; Li, Bang-Jing; Zhang, Sheng

2017-12-01

Electromagnetic wave absorption coatings can effectively minimize electromagnetic radiation and are widely used in the military and civil field. However, even small scratches on the coating can lead to a large decline of absorption ability and bring serious consequences. To enhance the lifetime of electromagnetic wave absorbing coating, a kind of self-healing electromagnetic wave absorbing coating is developed by introducing host-guest interactions between the absorbing fillers and polymer matrix. After being damaged, the cracks on this coating can be healed completely with the aid of small amounts of water. Simultaneously, the electromagnetic absorbing ability of the coating is restored along with the self-healing process. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Wetting and Coalescence of Drops of Self-Healing Agents on Electrospun Nanofiber Mats.

PubMed

An, Seongpil; Kim, Yong Il; Lee, Min Wook; Yarin, Alexander L; Yoon, Sam S

2017-10-10

Here we study experimentally the behavior of liquid healing agents released in vascular core-shell nanofiber mats used in self-healing engineered materials. It is shown that wettability-driven spreading of liquid drops is accompanied by the imbibition into the nanofiber matrix, and its laws deviate from those known for spreading on an intact surface. We also explore coalescence of the released drops on nanofiber mats, in particular, coalescence of drops of resin monomer and cure important for self-healing. The coalescence process is also affected by the imbibition into the pores of an underlying nanofiber mat. A theoretical model is developed to account for the imbibition effect on drop coalescence.

Calculating the Responses of Self-Powered Radiation Detectors.

NASA Astrophysics Data System (ADS)

Thornton, D. A.

Available from UMI in association with The British Library. The aim of this research is to review and develop the theoretical understanding of the responses of Self -Powered Radiation Detectors (SPDs) in Pressurized Water Reactors (PWRs). Two very different models are considered. A simple analytic model of the responses of SPDs to neutrons and gamma radiation is presented. It is a development of the work of several previous authors and has been incorporated into a computer program (called GENSPD), the predictions of which have been compared with experimental and theoretical results reported in the literature. Generally, the comparisons show reasonable consistency; where there is poor agreement explanations have been sought and presented. Two major limitations of analytic models have been identified; neglect of current generation in insulators and over-simplified electron transport treatments. Both of these are developed in the current work. A second model based on the Explicit Representation of Radiation Sources and Transport (ERRST) is presented and evaluated for several SPDs in a PWR at beginning of life. The model incorporates simulation of the production and subsequent transport of neutrons, gamma rays and electrons, both internal and external to the detector. Neutron fluxes and fuel power ratings have been evaluated with core physics calculations. Neutron interaction rates in assembly and detector materials have been evaluated in lattice calculations employing deterministic transport and diffusion methods. The transport of the reactor gamma radiation has been calculated with Monte Carlo, adjusted diffusion and point-kernel methods. The electron flux associated with the reactor gamma field as well as the internal charge deposition effects of the transport of photons and electrons have been calculated with coupled Monte Carlo calculations of photon and electron transport. The predicted response of a SPD is evaluated as the sum of contributions from individual response mechanisms.

Self-Healing Nanocomposites for Reusable Composite Cryotanks

NASA Technical Reports Server (NTRS)

Eberly, Daniel; Ou, Runqing; Karcz, Adam; Skandan, Ganesh

2013-01-01

Composite cryotanks, or composite overwrapped pressure vessels (COPVs), offer advantages over currently used aluminum-lithium cryotanks, particularly with respect to weight savings. Future NASA missions are expected to use COPVs in spaceflight propellant tanks to store fuels, oxidizers, and other liquids for launch and space exploration vehicles. However, reliability, reparability, and reusability of the COPVs are still being addressed, especially in cryogenic temperature applications; this has limited the adoption of COPVs in reusable vehicle designs. The major problem with composites is the inherent brittleness of the epoxy matrix, which is prone to microcrack formation, either from exposure to cryogenic conditions or from impact from different sources. If not prevented, the microcracks increase gas permeation and leakage. Accordingly, materials innovations are needed to mitigate microcrack damage, and prevent damage in the first place, in composite cryotanks. The self-healing technology being developed is capable of healing the microcracks through the use of a novel engineered nanocomposite, where a uniquely designed nanoparticle additive is incorporated into the epoxy matrix. In particular, this results in an enhancement in the burst pressure after cryogenic cycling of the nanocomposite COPVs, relative to the control COPVs. Incorporating a novel, self-healing, epoxy-based resin into the manufacture of COPVs allows repeatable self-healing of microcracks to be performed through the simple application of a low-temperature heat source. This permits COPVs to be reparable and reusable with a high degree of reliability, as microcracks will be remediated. The unique phase-separated morphology that was imparted during COPV manufacture allows for multiple self-healing cycles. Unlike single-target approaches where one material property is often improved at the expense of another, robustness has been introduced to a COPV by a combination of a modified resin and nanoparticle additives. Unique nanoparticles were used that have been surface-functionalized to be compatible with the resin. Both organic and inorganic components toughen the matrix and result in a more impact-resistant COPV. In one resin system containing an inorganic nanomaterial additive, a significant improvement in burst performance was observed after the COPV was cryo-impact-damaged and then self-healed, with a greater than 10% improvement in burst pressure after the self-healing process was performed. Initial cross-sectional analysis via microscopy showed good resin infiltration of the carbon fibers and without voids. To further enhance the capability between the nanomaterial additives and the resin, a surface modification was successfully performed. A second specialty epoxy resin was prepared using a surface modified nanomaterial additive, and COPVs were fabricated. Steps were taken to improve the mechanical properties of the COPVs by using a low-viscosity resin system that contained a different curing agent. This lower viscosity improves the processing of the COPV, and preliminary results show that the burst pressure of these new vessels is 20 to 25% higher than that of the original. The self-healing concept demonstrated in this research and development effort represents a platform technology, and the self-healing property is neither restricted to the particular epoxy system used here, nor to the COPV application. Self-healing is a direct result of a unique phase separated morphology created via the resin and is aided by the nanoparticles. The self-healing function can be introduced to other customer-specific resin systems in coating, bulk, or composite applications provided that the unique phase separated morphology can be enabled in those systems.

Roles of effective helical ripple rates in nonlinear stability of externally induced magnetic islands

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishimura, Seiya, E-mail: n-seiya@kobe-kosen.ac.jp

Magnetic islands are externally produced by resonant magnetic perturbations (RMPs) in toroidal plasmas. Spontaneous annihilation of RMP-induced magnetic islands called self-healing has been observed in helical systems. A possible mechanism of the self-healing is shielding of RMP penetration by helical ripple-induced neoclassical flows, which give rise to neoclassical viscous torques. In this study, effective helical ripple rates in multi-helicity helical systems are revisited, and a multi-helicity effect on the self-healing is investigated, based on a theoretical model of rotating magnetic islands. It is confirmed that effective helical ripple rates are sensitive to magnetic axis positions. It is newly found thatmore » self-healing thresholds also strongly depend on magnetic axis positions, which is due to dependence of neoclassical viscous torques on effective helical ripple rates.« less

Development of Self-Healing Coatings Based on Linseed Oil as Autonomous Repairing Agent for Corrosion Resistance.

PubMed

Thanawala, Karan; Mutneja, Nisha; Khanna, Anand S; Raman, R K Singh

2014-11-11

In recent years corrosion-resistant self-healing coatings have witnessed strong growth and their successful laboratory design and synthesis categorises them in the family of smart/multi-functional materials. Among various approaches for achieving self-healing, microcapsule embedment through the material matrix is the main one for self-healing ability in coatings. The present work focuses on optimizing the process parameters for developing microcapsules by in-situ polymerization of linseed oil as core and urea-formaldehyde as shell material. Characteristics of these microcapsules with respect to change in processing parameters such as stirring rate and reaction time were studied by using optical microscopy (OM), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). The effectiveness of these microcapsules in coatings was characterized by studying their adhesion, performance, and mechanical properties.

Development of Self-Healing Coatings Based on Linseed Oil as Autonomous Repairing Agent for Corrosion Resistance

PubMed Central

Thanawala, Karan; Mutneja, Nisha; Khanna, Anand S.; Singh Raman, R. K.

2014-01-01

In recent years corrosion-resistant self-healing coatings have witnessed strong growth and their successful laboratory design and synthesis categorises them in the family of smart/multi-functional materials. Among various approaches for achieving self-healing, microcapsule embedment through the material matrix is the main one for self-healing ability in coatings. The present work focuses on optimizing the process parameters for developing microcapsules by in-situ polymerization of linseed oil as core and urea-formaldehyde as shell material. Characteristics of these microcapsules with respect to change in processing parameters such as stirring rate and reaction time were studied by using optical microscopy (OM), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). The effectiveness of these microcapsules in coatings was characterized by studying their adhesion, performance, and mechanical properties. PMID:28788249

T-Opt: A 3D Monte Carlo simulation for light delivery design in photodynamic therapy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Honda, Norihiro; Hazama, Hisanao; Awazu, Kunio

2017-02-01

The interstitial photodynamic therapy (iPDT) with 5-aminolevulinic acid (5-ALA) is a safe and feasible treatment modality of malignant glioblastoma. In order to cover the tumour volume, the exact position of the light diffusers within the lesion is needed to decide precisely. The aim of this study is the development of evaluation method of treatment volume with 3D Monte Carlo simulation for iPDT using 5-ALA. Monte Carlo simulations of fluence rate were performed using the optical properties of the brain tissue infiltrated by tumor cells and normal tissue. 3-D Monte Carlo simulation was used to calculate the position of the light diffusers within the lesion and light transport. The fluence rate near the diffuser was maximum and decreased exponentially with distance. The simulation can calculate the amount of singlet oxygen generated by PDT. In order to increase the accuracy of simulation results, the parameter for simulation includes the quantum yield of singlet oxygen generation, the accumulated concentration of photosensitizer within tissue, fluence rate, molar extinction coefficient at the wavelength of excitation light. The simulation is useful for evaluation of treatment region of iPDT with 5-ALA.

New Surface-Treatment Technique of Concrete Structures Using Crack Repair Stick with Healing Ingredients

PubMed Central

Ahn, Tae-Ho; Kim, Hong-gi; Ryou, Jae-Suk

2016-01-01

This study focused on the development of a crack repair stick as a new repair method along with self-healing materials that can be used to easily repair the cracks in a concrete structure at the construction site. In developing this new repair technique, the self-healing efficiency of various cementitious materials was considered. Likewise, a crack repair stick was developed to apply to concrete structures with 0.3 mm or lower crack widths. The crack repair stick was made with different materials, such as cement, an expansive material (C12A7), a swelling material, and calcium carbonate, to endow it with a self-healing property. To verify the performance of the crack repair stick for concrete structures, two types of procedures (field experiment and field absorption test) were carried out. As a result of such procedures, it was concluded that the developed crack repair stick could be used on concrete structures to reduce repair expenses and for the improved workability, usability, and serviceability of such structures. On the other hand, to evaluate the self-healing performance of the crack repair stick, various tests were conducted, such as the relative dynamic modulus of elasticity test, the water tightness test, the water permeability test, observation via a microscope, and scanning electron microscope (SEM) analysis. From the results, it is found that water leakage can be prevented and that the durability of a concrete structure can be improved through self-healing. Also, it was verified that the cracks were perfectly closed after 28 days due to application of the crack repair stick. These results indicate the usability of the crack repair stick for concrete structures, and its self-healing efficiency. PMID:28773776

Gibbsian segregating alloys driven by thermal and concentration gradients: A potential grazing collector optics used in EUV lithography

NASA Astrophysics Data System (ADS)

Qiu, Huatan

A critical issue for EUV lithography is the minimization of collector degradation from intense plasma erosion and debris deposition. Reflectivity and lifetime of the collector optics will be heavily dependent on surface chemistry interactions between fuels and various mirror materials, in addition to high-energy ion and neutral particle erosion effects. An innovative Gibbsian segregation (GS) concept has been developed for being a self-healing, erosion-resistant collector optics. A Mo-Au GS alloy is developed on silicon using a DC dual-magnetron co-sputtering system in order for enhanced surface roughness properties, erosion resistance, and self-healing characteristics to maintain reflectivity over a longer period of mirror lifetime. A thin Au segregating layer will be maintained through segregation during exposure, even though overall erosion is taking place. The reflective material, Mo, underneath the segregating layer will be protected by this sacrificial layer which is lost due to preferential sputtering. The two dominant driving forces, thermal (temperature) and surface concentration gradient (surface removal flux), are the focus of this work. Both theoretical and experimental efforts have been performed to prove the effectiveness of the GS alloy used as EUV collection optics, and to elucidate the underlying physics behind it. The segregation diffusion, surface balance, erosion, and in-situ reflectivity will be investigated both qualitatively and quantitatively. Results show strong enhancement effect of temperature on GS performance, while only a weak effect of surface removal rate on GS performance. When equilibrium between GS and erosion is reached, the surface smoothness could be self-healed and reflectivity could be maintained at an equilibrium level, instead of continuously dropping down to an unacceptable level as conventional optic mirrors behave. GS process also shows good erosion resistance. The effectiveness of GS alloy as EUV mirror is dependent on the temperature and surface removal rate. The Mo-Au GS alloy could be effective at elevated temperature as the potential grazing mirror as EUV collector optics.

A pentacene monolayer trapped between graphene and a substrate.

PubMed

Zhang, Qicheng; Peng, Boyu; Chan, Paddy Kwok Leung; Luo, Zhengtang

2015-09-21

A self-assembled pentacene monolayer can be fabricated between the solid-solid interface of few-layered graphene (FLG) and the mica substrate, through a diffusion-spreading method. By utilizing a transfer method that allows us to sandwich pentacene between graphene and mica, followed by controlled annealing, we enabled the diffused pentacene to be trapped in the interfaces and led to the formation of a stable monolayer. We found that the formation of a monolayer is kinetically favored by using a 2D Ising lattice gas model for pentacene trapped between the graphene-substrate interfaces. This kinetic Monte Carlo simulation results indicate that, due to the graphene substrate enclosure, the spreading of the first layer proceeds faster than the second layer, as the kinetics favors the filling of voids by molecules from the second layer. This graphene assisted monolayer assembly method provides a new avenue for the fabrication of two-dimensional monolayer structures.

NMR diffusion simulation based on conditional random walk.

PubMed

Gudbjartsson, H; Patz, S

1995-01-01

The authors introduce here a new, very fast, simulation method for free diffusion in a linear magnetic field gradient, which is an extension of the conventional Monte Carlo (MC) method or the convolution method described by Wong et al. (in 12th SMRM, New York, 1993, p.10). In earlier NMR-diffusion simulation methods, such as the finite difference method (FD), the Monte Carlo method, and the deterministic convolution method, the outcome of the calculations depends on the simulation time step. In the authors' method, however, the results are independent of the time step, although, in the convolution method the step size has to be adequate for spins to diffuse to adjacent grid points. By always selecting the largest possible time step the computation time can therefore be reduced. Finally the authors point out that in simple geometric configurations their simulation algorithm can be used to reduce computation time in the simulation of restricted diffusion.

Hybrid diffusion-P3 equation in N-layered turbid media: steady-state domain.

PubMed

Shi, Zhenzhi; Zhao, Huijuan; Xu, Kexin

2011-10-01

This paper discusses light propagation in N-layered turbid media. The hybrid diffusion-P3 equation is solved for an N-layered finite or infinite turbid medium in the steady-state domain for one point source using the extrapolated boundary condition. The Fourier transform formalism is applied to derive the analytical solutions of the fluence rate in Fourier space. Two inverse Fourier transform methods are developed to calculate the fluence rate in real space. In addition, the solutions of the hybrid diffusion-P3 equation are compared to the solutions of the diffusion equation and the Monte Carlo simulation. For the case of small absorption coefficients, the solutions of the N-layered diffusion equation and hybrid diffusion-P3 equation are almost equivalent and are in agreement with the Monte Carlo simulation. For the case of large absorption coefficients, the model of the hybrid diffusion-P3 equation is more precise than that of the diffusion equation. In conclusion, the model of the hybrid diffusion-P3 equation can replace the diffusion equation for modeling light propagation in the N-layered turbid media for a wide range of absorption coefficients.

Accurate anharmonic zero-point energies for some combustion-related species from diffusion Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.

Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).

Accurate Anharmonic Zero-Point Energies for Some Combustion-Related Species from Diffusion Monte Carlo.

PubMed

Harding, Lawrence B; Georgievskii, Yuri; Klippenstein, Stephen J

2017-06-08

Full-dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion-related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic zero-point energies. The resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower-level electronic structure methods (B3LYP and MP2).

Accurate anharmonic zero-point energies for some combustion-related species from diffusion Monte Carlo

DOE PAGES

Harding, Lawrence B.; Georgievskii, Yuri; Klippenstein, Stephen J.

2017-05-17

Full dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic, zero point energies. Here, the resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower level electronic structure methods (B3LYP and MP2).

Monte Carlo Study of Cosmic-Ray Propagation in the Galaxy and Diffuse Gamma-Ray Production

NASA Astrophysics Data System (ADS)

Huang, C.-Y.; Pohl, M.

This talk present preliminary results for the time-dependent cosmic-ray propagation in the Galaxy by a fully 3-dimensional Monte Carlo simulation. The distribution of cosmic-rays (both protons and helium nuclei) in the Galaxy is studied on various spatial scales for both constant and variable cosmic-ray sources. The continuous diffuse gamma-ray emission produced by cosmic-rays during the propagation is evaluated. The results will be compared with calculations made with other propagation models.

Microfluidic Synthesis of Ca-Alginate Microcapsules for Self-Healing of Bituminous Binder.

PubMed

Shu, Benan; Wu, Shaopeng; Dong, Lijie; Wang, Qing; Liu, Quantao

2018-04-19

This work aims to develop an original alginate micro-emulsion combining with droplets microfluidic method to produce multinuclear Ca-alginate microcapsules containing rejuvenator for the self-healing of bituminous binder. The sizes of the Ca-alginate microcapsules could be easily controlled by tuning flow rates of the continuous and dispersed phases. The addition of a surfactant Tween80 not only improved the stability of the emulsion, but it also effectively reduced the size of the microcapsules. Size predictive mathematical model of the microcapsules was proposed through the analysis of fluid force. Optical microscope and remote Fourier infrared test confirmed the multinuclear structure of Ca-alginate microcapsules. Thermogravimetric analysis showed that the microcapsules coated with nearly 40% rejuvenator and they remained intact during the preparation of bitumen specimen at 135 °C. Micro self-healing process of bituminous binder with multinuclear Ca-alginate microcapsules containing rejuvenator was monitored and showed enhanced self-healing performance. Tensile stress-recovery test revealed that the recovery rate increased by 32.08% (in the case of 5% microcapsules), which meant that the Ca-alginate microcapsules containing rejuvenator could effectively enhance the self-healing property of bituminous binder.

Radiation hydrodynamics of triggered star formation: the effect of the diffuse radiation field

NASA Astrophysics Data System (ADS)

Haworth, Thomas J.; Harries, Tim J.

2012-02-01

We investigate the effect of including diffuse field radiation when modelling the radiatively driven implosion of a Bonnor-Ebert sphere (BES). Radiation-hydrodynamical calculations are performed by using operator splitting to combine Monte Carlo photoionization with grid-based Eulerian hydrodynamics that includes self-gravity. It is found that the diffuse field has a significant effect on the nature of radiatively driven collapse which is strongly coupled to the strength of the driving shock that is established before impacting the BES. This can result in either slower or more rapid star formation than expected using the on-the-spot approximation depending on the distance of the BES from the source object. As well as directly compressing the BES, stronger shocks increase the thickness and density in the shell of accumulated material, which leads to short, strong, photoevaporative ejections that reinforce the compression whenever it slows. This happens particularly effectively when the diffuse field is included as rocket motion is induced over a larger area of the shell surface. The formation and evolution of 'elephant trunks' via instability is also found to vary significantly when the diffuse field is included. Since the perturbations that seed instabilities are smeared out elephant trunks form less readily and, once formed, are exposed to enhanced thermal compression.

Functional Metal Matrix Composites: Self-lubricating, Self-healing, and Nanocomposites-An Outlook

NASA Astrophysics Data System (ADS)

Dorri Moghadam, Afsaneh; Schultz, Benjamin F.; Ferguson, J. B.; Omrani, Emad; Rohatgi, Pradeep K.; Gupta, Nikhil

2014-06-01

Many different types of advanced metal matrix composites are now available, some of which possess functional properties. Recent work on particle-reinforced, self-lubricating and self-healing metals and metal matrix nanocomposites (MMNCs) synthesized by solidification synthesis is reviewed. Particle-based MMNCs have been developed by several modern processing tools based on either solid- or liquid-phase synthesis techniques that are claimed to exhibit exciting mechanical properties including improvements of modulus, yield strength, and ultimate tensile strength. This article presents a brief and objective review of the work done over the last decade to identify the challenges and future opportunities in the area of functional nanocomposites. Increasing interest in lightweight materials has resulted in studies on hollow particle-filled metal matrix syntactic foams. Syntactic foams seem especially suitable for development with functional properties such as self-healing and self-lubrication. The metal matrix micro and nanocomposites, and syntactic foams having combinations of ultrahigh strength and wear resistance, self-lubricating, and/or self-healing properties can lead to increased energy efficiency, reliability, comfort of operation, reparability, and safety of vehicles. The focus of the present review is aluminum and magnesium matrix functional materials.

Self-sealing of thermal fatigue and mechanical damage in fiber-reinforced composite materials

NASA Astrophysics Data System (ADS)

Moll, Jericho L.

Fiber reinforced composite tanks provide a promising method of storage for liquid oxygen and hydrogen for aerospace applications. The inherent thermal fatigue of these vessels leads to the formation of microcracks, which allow gas phase leakage across the tank walls. In this dissertation, self-healing functionality is imparted to a structural composite to effectively seal microcracks induced by both mechanical and thermal loading cycles. Two different microencapsulated healing chemistries are investigated in woven glass fiber/epoxy and uni-weave carbon fiber/epoxy composites. Self-healing of mechanically induced damage was first studied in a room temperature cured plain weave E-glass/epoxy composite with encapsulated dicyclopentadiene (DCPD) monomer and wax protected Grubbs' catalyst healing components. A controlled amount of microcracking was introduced through cyclic indentation of opposing surfaces of the composite. The resulting damage zone was proportional to the indentation load. Healing was assessed through the use of a pressure cell apparatus to detect nitrogen flow through the thickness direction of the damaged composite. Successful healing resulted in a perfect seal, with no measurable gas flow. The effect of DCPD microcapsule size (51 microm and 18 microm) and concentration (0--12.2 wt%) on the self-sealing ability was investigated. Composite specimens with 6.5 wt% 51 microm capsules sealed 67% of the time, compared to 13% for the control panels without healing components. A thermally stable, dual microcapsule healing chemistry comprised of silanol terminated poly(dimethyl siloxane) plus a crosslinking agent and a tin catalyst was employed to allow higher composite processing temperatures. The microcapsules were incorporated into a satin weave E-glass fiber/epoxy composite processed at 120°C to yield a glass transition temperature of 127°C. Self-sealing ability after mechanical damage was assessed for different microcapsule sizees (25 microm and 42 microm) and concentrations (0--11 vol%). Incorporating 9 vol% 42 microm capsules or 11 vol% 25 microm capsules into the composite matrix leads to 100% of the samples sealing. The effect of microcapsule concentration on the short beam strength, storage modulus, and glass transition temperature of the composite specimens was also investigated. The thermally stable tin catalyzed poly(dimethyl siloxane) healing chemistry was then integrated into a [0/90]s uniweave carbon fiber/epoxy composite. Thermal cycling (-196°C to 35°C) of these specimens lead to the formation of microcracks, over time, formed a percolating crack network from one side of the composite to the other, resulting in a gas permeable specimen. Crack damage accumulation and sample permeability was monitored with number of cycles for both self-healing and traditional non-healing composites. Crack accumulation occurred at a similar rate for all sample types tested. A 63% increase in lifetime extension was achieved for the self-healing specimens over traditional non-healing composites.

Polyfibroblast: A Self-Healing and Galvanic Protection Additive

DTIC Science & Technology

2012-09-12

self-healing and galvanic protection capacity to the primer (Figure 1). Polyfibroblast consists of paint-filled microcapsules and zinc powder. It has...significant added cost. Microcapsule Figure 1. Polyfibroblast contains fresh paint encapsulated in polymer shells plus Zn powder. When scratched, resin...from the broken microcapsules fills the crack to form a polymer scar. Zn powder supplies galvanic protection in the event of incomplete healing

Evaluation of an Oxygen-Diffusion Dressing for Accelerated Healing of Donor-Site Wounds

DTIC Science & Technology

2014-06-01

such as fine- mesh gauze, scarlet-red gauze, Xeroform gauze, and other dressings. Slow healing times, cellulitis , and pain are perennial problems in...burn wound cellulitis preoperatively, and critically ill patients on mechanical ventilation who would be unable to provide consent for the study or

Enhanced Aircraft Platform Availability Through Advanced Maintenance Concepts and Technologies (Amelioration de la Disponibilite des Plateformes D’Aeronefs par L’Utilisation des Technologies et des Concepts Evolues de Maintenance)

DTIC Science & Technology

2011-06-01

DeLong, W., Yepez, S., Reedy, D. and White, S., “Use of Composite Materials, Health Monitoring and Self Healing Concepts to Refurbish our Civil and...Health Monitoring and Self Healing Concepts to Refurbish Our Civil and Military Infrastructure”, Sandia National Laboratories Report SAND2007-5547...failure without the need for the system to go off-line. Recovery Blocks and Self - Healing (Software) The backwards

Self-healing multiphase polymers via dynamic metal-ligand interactions.

PubMed

Mozhdehi, Davoud; Ayala, Sergio; Cromwell, Olivia R; Guan, Zhibin

2014-11-19

A new self-healing multiphase polymer is developed in which a pervasive network of dynamic metal-ligand (zinc-imidazole) interactions are programmed in the soft matrix of a hard/soft two-phase brush copolymer system. The mechanical and dynamic properties of the materials can be tuned by varying a number of molecular parameters (e.g., backbone/brush degree of polymerization and brush density) as well as the ligand/metal ratio. Following mechanical damage, these thermoplastic elastomers show excellent self-healing ability under ambient conditions without any intervention.

Thermally driven self-healing using copper nanofiber heater

NASA Astrophysics Data System (ADS)

Lee, Min Wook; Jo, Hong Seok; Yoon, Sam S.; Yarin, Alexander L.

2017-07-01

Nano-textured transparent heaters made of copper nanofibers (CuNFs) are used to facilitate accelerated self-healing of bromobutyl rubber (BIIR). The heater and BIIR layer are separately deposited on each side of a transparent flexible polyethylene terephthalate (PET) substrate. A pre-notched crack on the BIIR layer was bridged due to heating facilitated by CuNFs. In the corrosion test, a cracked BIIR layer covered a steel substrate. An accelerated self-healing of the crack due to the transparent copper nanofiber heater facilitated an anti-corrosion protective effect of the BIIR layer.

Self-healing effect of the protective inhibitor-containing coatings on Mg alloys

NASA Astrophysics Data System (ADS)

Gnedenkov, A. S.; Sinebryukhov, S. L.; Mashtalyar, D. V.; Gnedenkov, S. V.

2017-09-01

The method of self-healing coating formation on the surface of magnesium alloys on the base of plasma electrolytic oxidation (PEO) with subsequent impregnation of the obtained layer with inhibitor has been suggested. The protective and electrochemical properties of such coatings have been described. Localised Scanning Electrochemical Methods were used for determining the kinetics and mechanism of the self-healing process. The treatment with the solution containing inhibitor enables us to increase the protective properties of the PEO-coating in 30 times in the corrosion-active environment.

Impression Testing of Self-Healing Polymers

NASA Technical Reports Server (NTRS)

Hinkley, Jeffrey A.; Huber, Amy

2005-01-01

As part of the BIOSANT program (biologically-inspired smart nanotechnology), scientists at NASA-Langley have identified a "self-healing" plastic that spontaneously closes the hole left by the passage of a bullet. To understand and generalize the phenomenon in question, the mechanical properties responsible for this ability are being explored. Low-rate impression testing was chosen to characterize post-yield material properties, and it turned out that materials that heal following ballistic puncture also show up to 80% healing of the low-rate impression. Preliminary results on the effects of temperature and rate of puncture are presented.

Monte carlo simulations of enzyme reactions in two dimensions: fractal kinetics and spatial segregation.

PubMed

Berry, Hugues

2002-10-01

Conventional equations for enzyme kinetics are based on mass-action laws, that may fail in low-dimensional and disordered media such as biological membranes. We present Monte Carlo simulations of an isolated Michaelis-Menten enzyme reaction on two-dimensional lattices with varying obstacle densities, as models of biological membranes. The model predicts that, as a result of anomalous diffusion on these low-dimensional media, the kinetics are of the fractal type. Consequently, the conventional equations for enzyme kinetics fail to describe the reaction. In particular, we show that the quasi-stationary-state assumption can hardly be retained in these conditions. Moreover, the fractal characteristics of the kinetics are increasingly pronounced as obstacle density and initial substrate concentration increase. The simulations indicate that these two influences are mainly additive. Finally, the simulations show pronounced S-P segregation over the lattice at obstacle densities compatible with in vivo conditions. This phenomenon could be a source of spatial self organization in biological membranes.

Monte carlo simulations of enzyme reactions in two dimensions: fractal kinetics and spatial segregation.

PubMed Central

Berry, Hugues

2002-01-01

Conventional equations for enzyme kinetics are based on mass-action laws, that may fail in low-dimensional and disordered media such as biological membranes. We present Monte Carlo simulations of an isolated Michaelis-Menten enzyme reaction on two-dimensional lattices with varying obstacle densities, as models of biological membranes. The model predicts that, as a result of anomalous diffusion on these low-dimensional media, the kinetics are of the fractal type. Consequently, the conventional equations for enzyme kinetics fail to describe the reaction. In particular, we show that the quasi-stationary-state assumption can hardly be retained in these conditions. Moreover, the fractal characteristics of the kinetics are increasingly pronounced as obstacle density and initial substrate concentration increase. The simulations indicate that these two influences are mainly additive. Finally, the simulations show pronounced S-P segregation over the lattice at obstacle densities compatible with in vivo conditions. This phenomenon could be a source of spatial self organization in biological membranes. PMID:12324410

Self-healing Li-Al layered double hydroxide conversion coating modified with aspartic acid for 6N01 Al alloy

NASA Astrophysics Data System (ADS)

Zhang, Caixia; Luo, Xiaohu; Pan, Xinyu; Liao, Liying; Wu, Xiaosong; Liu, Yali

2017-02-01

A self-healing Li-Al layered double hydroxide conversion coating (LCC) modified with aspartic acid (ALCC) was prepared on 6N01 Al alloy for corrosion protection. Scanning electron microscopy (SEM) showed that a compact thin film has been successfully formed on the alloy. X-ray diffraction (XRD) and FT-IR spectra proved that species of aspartic acid anions were successfully intercalated into LCC. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and neutral salt spray (NSS) testing showed that the resultant ALCC could provide effective corrosion protection for the Al alloy. During immersion of the ALCC-coated alloy in 3.5% NaCl solution, new film was formed in the area of artificially introduced scratch, indicating its self-healing capability. XPS results demonstrated that Cl- anions exchange partial Asp anions according to the change content of element on conversion coating. From the above results, the possible mechanism via exchange/self-assembly was proposed to illustrate the phenomenon of self-healing.

Self-Care-Based Treatment Using Ordinary Elastic Bandages for Venous Leg Ulcers

PubMed Central

Suehiro, Kotaro; Morikage, Noriyasu; Harada, Takasuke; Samura, Makoto; Takeuchi, Yuriko; Mizoguchi, Takahiro; Hamano, Kimikazu

2017-01-01

Objective: We aimed to study venous leg ulcer (VLU) healing and recurrence rates of VLU using a self-care-based treatment strategy. Methods: The study included 36 patients (43 legs) who visited our clinic between April 2009 and June 2015 because of non-healing VLUs and who had been treated by us for more than a year (until June 2016). Patients or their caregivers were first provided instructions for performing the “no-intentional-stretch” bandaging technique using ordinary elastic bandages. Wounds were cleansed with tepid water daily, and bandages were re-applied by patients or their caregivers; this was continued until VLUs were healed. Compression was discontinued after healing, but was restarted if persistent swelling and/or dermatitis was noticed on their legs. Results: The median ulcer size was 6.5 cm2 (range, 1–105 cm2). The median number of clinic visits until healing was six (range, 3–35). The 6- and 12-month healing rates were 67% and 86%, respectively. Twenty (44%) legs required compression therapy after VLU healing. The cumulative recurrence-free rate at 60 months was 86%. Conclusion: Reasonable healing and recurrence rates were achieved by applying a self-care-based VLU treatment strategy. PMID:29147163

Self-Healing Nanofiber-Reinforced Polymer Composites. 1. Tensile Testing and Recovery of Mechanical Properties.

PubMed

Lee, Min Wook; An, Seongpil; Jo, Hong Seok; Yoon, Sam S; Yarin, Alexander L

2015-09-09

The present work aims at development of self-healing materials capable of partially restoring their mechanical properties under the conditions of prolonged periodic loading and unloading, which is characteristic, for example, of aerospace applications. Composite materials used in these and many other applications frequently reveal multiple defects stemming from their original inhomogeneity, which facilitates microcracking and delamination at ply interfaces. Self-healing nanofiber mats may effectively prevent such damage without compromising material integrity. Two types of core-shell nanofibers were simultaneously electrospun onto the same substrate in order to form a mutually entangled mat. The first type of core-shell fibers consisted of resin monomer (dimethylsiloxane) within the core and polyacrylonitrile within the shell. The second type of core-shell nanofibers consisted of cure (dimethyl-methyl hydrogen-siloxane) within the core and polyacrylonitrile within the shell. These mutually entangled nanofiber mats were used for tensile testing, and they were also encased in polydimethylsiloxane to form composites that were also subsequently subjected to tensile testing. During tensile tests, the nanofibers can be damaged in stretching up to the plastic regime of deformation. Then, the resin monomer and cure was released from the cores and the polydimethylsiloxane resin was polymerized, which might be expected to result in the self-healing properties of these materials. To reveal and evaluate the self-healing properties of the polyacrylonitrile-resin-cure nanofiber mats and their composites, the results were compared to the tensile test results of the monolithic polyacrylonitrile nanofiber mats or composites formed by encasing polyacrylonitrile nanofibers in a polydimethylsiloxane matrix. The latter do not possess self-healing properties, and indeed, do not recover their mechanical characteristics, in contrast to the polyacrylonitrile-resin-cure nanofiber mats and the composites reinforced by such mats. This is the first work, to the best of our knowledge, where self-healing nanofibers and composites based on them were developed, tested, and revealed restoration of mechanical properties (stiffness) in a 24 h rest period at room temperature.

CGRO Guest Investigator Program

NASA Technical Reports Server (NTRS)

Begelman, Mitchell C.

1997-01-01

The following are highlights from the research supported by this grant: (1) Theory of gamma-ray blazars: We studied the theory of gamma-ray blazars, being among the first investigators to propose that the GeV emission arises from Comptonization of diffuse radiation surrounding the jet, rather than from the synchrotron-self-Compton mechanism. In related work, we uncovered possible connections between the mechanisms of gamma-ray blazars and those of intraday radio variability, and have conducted a general study of the role of Compton radiation drag on the dynamics of relativistic jets. (2) A Nonlinear Monte Carlo code for gamma-ray spectrum formation: We developed, tested, and applied the first Nonlinear Monte Carlo (NLMC) code for simulating gamma-ray production and transfer under much more general (and realistic) conditions than are accessible with other techniques. The present version of the code is designed to simulate conditions thought to be present in active galactic nuclei and certain types of X-ray binaries, and includes the physics needed to model thermal and nonthermal electron-positron pair cascades. Unlike traditional Monte-Carlo techniques, our method can accurately handle highly non-linear systems in which the radiation and particle backgrounds must be determined self-consistently and in which the particle energies span many orders of magnitude. Unlike models based on kinetic equations, our code can handle arbitrary source geometries and relativistic kinematic effects In its first important application following testing, we showed that popular semi-analytic accretion disk corona models for Seyfert spectra are seriously in error, and demonstrated how the spectra can be simulated if the disk is sparsely covered by localized 'flares'.

Online sequential Monte Carlo smoother for partially observed diffusion processes

NASA Astrophysics Data System (ADS)

Gloaguen, Pierre; Étienne, Marie-Pierre; Le Corff, Sylvain

2018-12-01

This paper introduces a new algorithm to approximate smoothed additive functionals of partially observed diffusion processes. This method relies on a new sequential Monte Carlo method which allows to compute such approximations online, i.e., as the observations are received, and with a computational complexity growing linearly with the number of Monte Carlo samples. The original algorithm cannot be used in the case of partially observed stochastic differential equations since the transition density of the latent data is usually unknown. We prove that it may be extended to partially observed continuous processes by replacing this unknown quantity by an unbiased estimator obtained for instance using general Poisson estimators. This estimator is proved to be consistent and its performance are illustrated using data from two models.

Self-healing of Hermite-Gauss and Ince-Gauss beams

NASA Astrophysics Data System (ADS)

Aguirre-Olivas, Dilia; Mellado-Villaseñor, Gabriel; Arrizón, Victor; Chávez-Cerda, Sabino

2015-08-01

We analyze and demonstrate, numerically and experimentally, the self-healing effect in scaled propagation invariant beams, subject to opaque obstructions. The effect is quantitatively evaluated employing the Root Mean Square deviation and the similarity function.

Self-Healing Nanocomposite Hydrogel with Well-Controlled Dynamic Mechanics

NASA Astrophysics Data System (ADS)

Li, Qiaochu; Mishra, Sumeet; Chen, Pangkuan; Tracy, Joseph; Holten-Andersen, Niels

Network dynamics is a crucial factor that determines the macroscopic self-healing rate and efficiency in polymeric hydrogel materials, yet its controllability is seldom studied in most reported self-healing hydrogel systems. Inspired by mussel's adhesion chemistry, we developed a novel approach to assemble inorganic nanoparticles and catechol-decorated PEG polymer into a hydrogel network. When utilized as reversible polymer-particle crosslinks, catechol-metal coordination bonds yield a unique gel network with dynamic mechanics controlled directly by interfacial crosslink structure. Taking advantage of this structure-property relationship at polymer-particle interfaces, we next designed a hierarchically structured hybrid gel with two distinct relaxation timescales. By tuning the relative contribution of the two hierarchical relaxation modes, we are able to finely control the gel's dynamic mechanical behavior from a viscoelastic fluid to a stiff solid, yet preserving its fast self-healing property without the need for external stimuli.

Plasma-induced magnetic responses during nonlinear dynamics of magnetic islands due to resonant magnetic perturbations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishimura, Seiya, E-mail: n-seiya@kobe-kosen.ac.jp

Resonant magnetic perturbations (RMPs) produce magnetic islands in toroidal plasmas. Self-healing (annihilation) of RMP-induced magnetic islands has been observed in helical systems, where a possible mechanism of the self-healing is shielding of RMP penetration by plasma flows, which is well known in tokamaks. Thus, fundamental physics of RMP shielding is commonly investigated in both tokamaks and helical systems. In order to check this mechanism, detailed informations of magnetic island phases are necessary. In experiments, measurement of radial magnetic responses is relatively easy. In this study, based on a theoretical model of rotating magnetic islands, behavior of radial magnetic fields duringmore » the self-healing is investigated. It is confirmed that flips of radial magnetic fields are typically observed during the self-healing. Such behavior of radial magnetic responses is also observed in LHD experiments.« less

Photothermal triggering of self-healing processes applied to the reparation of bio-based polymer networks

NASA Astrophysics Data System (ADS)

Altuna, F. I.; Antonacci, J.; Arenas, G. F.; Pettarin, V.; Hoppe, C. E.; Williams, R. J. J.

2016-04-01

Green laser irradiation successfully activated self-healing processes in epoxy-acid networks modified with low amounts of gold nanoparticles (NPs). A bio-based polymer matrix, obtained by crosslinking epoxidized soybean oil (ESO) with an aqueous citric acid (CA) solution, was self-healed through molecular rearrangements produced by transesterification reactions of β-hydroxyester groups generated in the polymerization reaction. The temperature increase required for the triggering of these thermally activated reactions was attained by green light irradiation of the damaged area. Compression force needed to assure a good contact between crack faces was achieved by volume dilatation generated by the same temperature rise. Gold NPs dispersed in the polymer efficiently generated heat in the presence of electromagnetic radiation under plasmon resonance, acting as nanometric heating sources and allowing remote activation of the self-healing in the crosslinked polymer.

Processing and damage recovery of intrinsic self-healing glass fiber reinforced composites

NASA Astrophysics Data System (ADS)

Sordo, Federica; Michaud, Véronique

2016-08-01

Glass fiber reinforced composites with a self-healing, supramolecular hybrid network matrix were produced using a modified vacuum assisted resin infusion moulding process adapted to high temperature processing. The quality and fiber volume fraction (50%) of the obtained materials were assessed through microscopy and matrix burn-off methods. The thermo-mechanical properties were quantified by means of dynamic mechanical analysis, revealing very high damping properties compared to traditional epoxy-based glass fiber reinforced composites. Self-healing properties were assessed by three-point bending tests. A high recovery of the flexural properties, around 72% for the elastic modulus and 65% of the maximum flexural stress, was achieved after a resting period of 24 h at room temperature. Recovery after low velocity impact events was also visually observed. Applications for this intrinsic and autonomic self-healing highly reinforced composite material point towards semi-structural applications where high damping and/or integrity recovery after impact are required.

Self-healing of cracks in Ag joining layer for die-attachment in power devices

NASA Astrophysics Data System (ADS)

Chen, Chuantong; Nagao, Shijo; Suganuma, Katsuaki; Jiu, Jinting; Zhang, Hao; Sugahara, Tohru; Iwashige, Tomohito; Sugiura, Kazuhiko; Tsuruta, Kazuhiro

2016-08-01

Sintered silver (Ag) joining has attracted significant interest in power devices modules for its ability to form stable joints with a porous interconnection layer. A function for the self-healing of cracks in sintered porous Ag interlayers at high temperatures is discovered and reported here. A crack which was prepared on a Ag joining layer was closed after heating at 200 °C in air. The tensile strength of pre-cracked Ag joining layer specimens recovers to the value of non-cracked specimens after heating treatment. Transmission electron microscopy (TEM) was used to probe the self-healing mechanism. TEM images and electron diffraction patterns show that a large quantity of Ag nanoparticles formed at the gap with the size less than 10 nm, which bridges the crack in the self-healing process. This discovery provides additional motivation for the application of Ag as an interconnection material for power devices at high temperature.

Characterization and modeling of three-dimensional self-healing shape memory alloy-reinforced metal-matrix composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Pingping; Cui, Zhiwei; Kesler, Michael S.

In this paper, three-dimensional metal-matrix composites (MMCs) reinforced by shape memory alloy (SMA) wires are modeled and simulated, by adopting an SMA constitutive model accounting for elastic deformation, phase transformation and plastic behavior. A modeling method to create composites with pre-strained SMA wires is also proposed to improve the self-healing ability. Experimental validation is provided with a composite under three-point bending. This modeling method is applied in a series of finite element simulations to investigate the self-healing effects in pre-cracked composites, especially the role of the SMA reinforcement, the softening property of the matrix, and the effect of pre-strain inmore » the SMA. The results demonstrate that SMA reinforcements provide stronger shape recovery ability than other, non-transforming materials. The softening property of the metallic matrix and the pre-strain in SMA are also beneficial to help crack closure and healing. This modeling approach can serve as an efficient tool to design SMA-reinforced MMCs with optimal self-healing properties that have potential applications in components needing a high level of reliability.« less

Nonequilibrium phase transition in a self-activated biological network.

PubMed

Berry, Hugues

2003-03-01

We present a lattice model for a two-dimensional network of self-activated biological structures with a diffusive activating agent. The model retains basic and simple properties shared by biological systems at various observation scales, so that the structures can consist of individuals, tissues, cells, or enzymes. Upon activation, a structure emits a new mobile activator and remains in a transient refractory state before it can be activated again. Varying the activation probability, the system undergoes a nonequilibrium second-order phase transition from an active state, where activators are present, to an absorbing, activator-free state, where each structure remains in the deactivated state. We study the phase transition using Monte Carlo simulations and evaluate the critical exponents. As they do not seem to correspond to known values, the results suggest the possibility of a separate universality class.

Limitations of the commonly used simplified laterally uniform optical fiber probe-tissue interface in Monte Carlo simulations of diffuse reflectance

PubMed Central

Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran

2015-01-01

Light propagation models often simplify the interface between the optical fiber probe tip and tissue to a laterally uniform boundary with mismatched refractive indices. Such simplification neglects the precise optical properties of the commonly used probe tip materials, e.g. stainless steel or black epoxy. In this paper, we investigate the limitations of the laterally uniform probe-tissue interface in Monte Carlo simulations of diffuse reflectance. In comparison to a realistic probe-tissue interface that accounts for the layout and properties of the probe tip materials, the simplified laterally uniform interface is shown to introduce significant errors into the simulated diffuse reflectance. PMID:26504647

Modeling the migration of platinum nanoparticles on surfaces using a kinetic Monte Carlo approach

DOE PAGES

Li, Lin; Plessow, Philipp N.; Rieger, Michael; ...

2017-02-15

We propose a kinetic Monte Carlo (kMC) model for simulating the movement of platinum particles on supports, based on atom-by-atom diffusion on the surface of the particle. The proposed model was able to reproduce equilibrium cluster shapes predicted using Wulff-construction. The diffusivity of platinum particles was simulated both purely based on random motion and assisted using an external field that causes a drift velocity. The overall particle diffusivity increases with temperature; however, the extracted activation barrier appears to be temperature independent. Additionally, this barrier was found to increase with particle size, as well as, with the adhesion between the particlemore » and the support.« less

Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Zhang, Yongfeng; Jiang, Chao; Bai, Xianming

2017-01-01

This report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by neighboring tetrahedral interstitial sites, with analytical solutions for basin exiting time and probability. Parameterized by density functional theory (DFT) calculations, the accelerated KMC method is shown to be capable of efficiently calculating hydrogen diffusivity in α-Zr and Zircaloy, without altering the kinetics of long-range diffusion. Above room temperature, hydrogen diffusion in α-Zr and Zircaloy is dominated by thermal hopping, with negligible contribution from quantum tunneling. The diffusivity predicted by this DFT + KMC approach agrees well with that from previous independent experiments and theories, without using any data fitting. The diffusivity along is found to be slightly higher than that along , with the anisotropy saturated at about 1.20 at high temperatures, resolving contradictory results in previous experiments. Demonstrated using hydrogen diffusion in α-Zr, the same method can be extended for on-lattice diffusion in hcp metals, or systems with similar trapping basins.

Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

PubMed Central

Zhang, Yongfeng; Jiang, Chao; Bai, Xianming

2017-01-01

This report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by neighboring tetrahedral interstitial sites, with analytical solutions for basin exiting time and probability. Parameterized by density functional theory (DFT) calculations, the accelerated KMC method is shown to be capable of efficiently calculating hydrogen diffusivity in α-Zr and Zircaloy, without altering the kinetics of long-range diffusion. Above room temperature, hydrogen diffusion in α-Zr and Zircaloy is dominated by thermal hopping, with negligible contribution from quantum tunneling. The diffusivity predicted by this DFT + KMC approach agrees well with that from previous independent experiments and theories, without using any data fitting. The diffusivity along is found to be slightly higher than that along , with the anisotropy saturated at about 1.20 at high temperatures, resolving contradictory results in previous experiments. Demonstrated using hydrogen diffusion in α-Zr, the same method can be extended for on-lattice diffusion in hcp metals, or systems with similar trapping basins. PMID:28106154

Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

DOE PAGES

Zhang, Yongfeng; Jiang, Chao; Bai, Xianming

2017-01-20

Here, this report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by neighboring tetrahedral interstitial sites, with analytical solutions for basin exiting time and probability. Parameterized by density functional theory (DFT) calculations, the accelerated KMC method is shown to be capable of efficiently calculating hydrogen diffusivity in α-Zr and Zircaloy, without altering the kinetics of long-range diffusion. Above room temperature, hydrogen diffusion in α-Zr and Zircaloy ismore » dominated by thermal hopping, with negligible contribution from quantum tunneling. The diffusivity predicted by this DFT + KMC approach agrees well with that from previous independent experiments and theories, without using any data fitting. The diffusivity along < c > is found to be slightly higher than that along < a >, with the anisotropy saturated at about 1.20 at high temperatures, resolving contradictory results in previous experiments. Demonstrated using hydrogen diffusion in α-Zr, the same method can be extended for on-lattice diffusion in hcp metals, or systems with similar trapping basins.« less

Modeling the effect of topical oxygen therapy on wound healing

NASA Astrophysics Data System (ADS)

Agyingi, Ephraim; Ross, David; Maggelakis, Sophia

2011-11-01

Oxygen supply is a critical element for the healing of wounds. Clinical investigations have shown that topical oxygen therapy (TOT) increases the healing rate of wounds. The reason behind TOT increasing the healing rate of a wound remains unclear and hence current protocols are empirical. In this paper we present a mathematical model of wound healing that we use to simulate the application of TOT in the treatment of cutaneous wounds. At the core of our model is an account of the initiation of angiogenesis by macrophage-derived growth factors. The model is expressed as a system of reaction-diffusion equations. We present results of simulations for a version of the model with one spatial dimension.

Study of Geometric Stability and Structural Integrity of Self-Healing Glass Seal System Used in Solid Oxide Fuel Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Wenning N.; Sun, Xin; Khaleel, Mohammad A.

A self-healing glass seal has the potential of restoring its mechanical properties upon being reheated to SOFC stack operating temperature, even when it has experienced some cooling induced damage/cracking at room temperature. Such a self-healing feature is desirable for achieving high seal reliability during thermal cycling. On the other hand, self-healing glass is also characterized by its low mechanical stiffness and high creep rate at the typical operating temperature of SOFCs. Therefore, geometry stability and structural integrity of the glass seal system becomes critical to its successful application in SOFCs. In this paper, the geometry stability of the self-healing glassmore » and the influence of various interfacial conditions of ceramic stoppers with the PEN, IC, and glass seal on the structural integrity of the glass seal during the operating and cooling down processes are studied using finite element analyses. For this purpose, the test cell used in the leakage tests for compliant glass seals conducted at PNNL is taken as the initial modeling geometry. The effect of the ceramic stopper on the geometry stability of the self-healing glass sealants is studied first. Two interfacial conditions of the ceramic stopper and glass seals, i.e., bonded (strong) or un-bonded (weak), are considered. Then the influences of interfacial strengths at various interfaces, i.e., stopper/glass, stopper/PEN, as well as stopper/IC plate, on the geometry stability and reliability of glass during the operating and cooling processes are examined.« less

Epithelial self-healing is recapitulated by a 3D biomimetic E-cadherin junction.

PubMed

Cohen, Daniel J; Gloerich, Martijn; Nelson, W James

2016-12-20

Epithelial monolayers undergo self-healing when wounded. During healing, cells collectively migrate into the wound site, and the converging tissue fronts collide and form a stable interface. To heal, migrating tissues must form cell-cell adhesions and reorganize from the front-rear polarity characteristic of cell migration to the apical-basal polarity of an epithelium. However, identifying the "stop signal" that induces colliding tissues to cease migrating and heal remains an open question. Epithelial cells form integrin-based adhesions to the basal extracellular matrix (ECM) and E-cadherin-mediated cell-cell adhesions on the orthogonal, lateral surfaces between cells. Current biological tools have been unable to probe this multicellular 3D interface to determine the stop signal. We addressed this problem by developing a unique biointerface that mimicked the 3D organization of epithelial cell adhesions. This "minimal tissue mimic" (MTM) comprised a basal ECM substrate and a vertical surface coated with purified extracellular domain of E-cadherin, and was designed for collision with the healing edge of an epithelial monolayer. Three-dimensional imaging showed that adhesions formed between cells, and the E-cadherin-coated MTM resembled the morphology and dynamics of native epithelial cell-cell junctions and induced the same polarity transition that occurs during epithelial self-healing. These results indicate that E-cadherin presented in the proper 3D context constitutes a minimum essential stop signal to induce self-healing. That the Ecad:Fc MTM stably integrated into an epithelial tissue and reduced migration at the interface suggests that this biointerface is a complimentary approach to existing tissue-material interfaces.

Epithelial self-healing is recapitulated by a 3D biomimetic E-cadherin junction

PubMed Central

Cohen, Daniel J.; Gloerich, Martijn; Nelson, W. James

2016-01-01

Epithelial monolayers undergo self-healing when wounded. During healing, cells collectively migrate into the wound site, and the converging tissue fronts collide and form a stable interface. To heal, migrating tissues must form cell–cell adhesions and reorganize from the front-rear polarity characteristic of cell migration to the apical-basal polarity of an epithelium. However, identifying the "stop signal" that induces colliding tissues to cease migrating and heal remains an open question. Epithelial cells form integrin-based adhesions to the basal extracellular matrix (ECM) and E-cadherin–mediated cell–cell adhesions on the orthogonal, lateral surfaces between cells. Current biological tools have been unable to probe this multicellular 3D interface to determine the stop signal. We addressed this problem by developing a unique biointerface that mimicked the 3D organization of epithelial cell adhesions. This "minimal tissue mimic" (MTM) comprised a basal ECM substrate and a vertical surface coated with purified extracellular domain of E-cadherin, and was designed for collision with the healing edge of an epithelial monolayer. Three-dimensional imaging showed that adhesions formed between cells, and the E-cadherin-coated MTM resembled the morphology and dynamics of native epithelial cell–cell junctions and induced the same polarity transition that occurs during epithelial self-healing. These results indicate that E-cadherin presented in the proper 3D context constitutes a minimum essential stop signal to induce self-healing. That the Ecad:Fc MTM stably integrated into an epithelial tissue and reduced migration at the interface suggests that this biointerface is a complimentary approach to existing tissue–material interfaces. PMID:27930308

Synthesis of a Self-Healing Polymer Based on Reversible Diels-Alder Reaction: An Advanced Undergraduate Laboratory at the Interface of Organic Chemistry and Materials Science

ERIC Educational Resources Information Center

Weizman, Haim; Nielsen, Christian; Weizman, Or S.; Nemat-Nasser, Sia

2011-01-01

This laboratory experiment exposes students to the chemistry of self-healing polymers based on a Diels-Alder reaction. Students accomplish a multistep synthesis of a monomer building block and then polymerize it to form a cross-linked polymer. The healing capability of the polymer is verified by differential scanning calorimetry (DSC) experiments.…

Bio-reinforced self-healing concrete using magnetic iron oxide nanoparticles.

PubMed

Seifan, Mostafa; Sarmah, Ajit K; Ebrahiminezhad, Alireza; Ghasemi, Younes; Samani, Ali Khajeh; Berenjian, Aydin

2018-03-01

Immobilization has been reported as an efficient technique to address the bacterial vulnerability for application in bio self-healing concrete. In this study, for the first time, magnetic iron oxide nanoparticles (IONs) are being practically employed as the protective vehicle for bacteria to evaluate the self-healing performance in concrete environment. Magnetic IONs were successfully synthesized and characterized using different techniques. The scanning electron microscope (SEM) images show the efficient adsorption of nanoparticles to the Bacillus cells. Microscopic observation illustrates that the incorporation of the immobilized bacteria in the concrete matrix resulted in a significant crack healing behavior, while the control specimen had no healing characteristics. Analysis of bio-precipitates revealed that the induced minerals in the cracks were calcium carbonate. The effect of magnetic immobilized cells on the concrete water absorption showed that the concrete specimens supplemented with decorated bacteria with IONs had a higher resistance to water penetration. The initial and secondary water absorption rates in bio-concrete specimens were 26% and 22% lower than the control specimens. Due to the compatible behavior of IONs with the concrete compositions, the results of this study proved the potential application of IONs for developing a new generation of bio self-healing concrete.

A monte carlo study of restricted diffusion: Implications for diffusion MRI of prostate cancer.

PubMed

Gilani, Nima; Malcolm, Paul; Johnson, Glyn

2017-04-01

Diffusion MRI is used frequently to assess prostate cancer. The prostate consists of cellular tissue surrounding fluid filled ducts. Here, the diffusion properties of the ductal fluid alone were studied. Monte Carlo simulations were used to investigate ductal residence times to determine whether ducts can be regarded as forming a separate compartment and whether ductal radius could determine the Apparent Diffusion Coefficient (ADC) of the ductal fluid. Random walks were simulated in cavities. Average residence times were estimated for permeable cavities. Signal reductions resulting from application of a Stejskal-Tanner pulse sequence were calculated in impermeable cavities. Simulations were repeated for cavities of different radii and different diffusion times. Residence times are at least comparable with diffusion times even in relatively high grade tumors. ADCs asymptotically approach theoretical limiting values. At large radii and short diffusion times, ADCs are similar to free diffusion. At small radii and long diffusion times, ADCs are reduced toward zero, and kurtosis approaches a value of -1.2. Restricted diffusion in cavities of similar sizes to prostate ducts may reduce ductal ADCs. This may contribute to reductions in total ADC seen in prostate cancer. Magn Reson Med 77:1671-1677, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

pH-responsive self-healing injectable hydrogel based on N-carboxyethyl chitosan for hepatocellular carcinoma therapy.

PubMed

Qu, Jin; Zhao, Xin; Ma, Peter X; Guo, Baolin

2017-08-01

Injectable hydrogels with pH-responsiveness and self-healing ability have great potential for anti-cancer drug delivery. Herein, we developed a series of polysaccharide-based self-healing hydrogels with pH-sensitivity as drug delivery vehicles for hepatocellular carcinoma therapy. The hydrogels were prepared by using N-carboxyethyl chitosan (CEC) synthesized via Michael reaction in aqueous solution and dibenzaldehyde-terminated poly(ethylene glycol) (PEGDA). Doxorubicin (Dox), as a model of water-soluble small molecule anti-cancer drug was encapsulated into the hydrogel in situ. Self-healing behavior of the hydrogels was investigated at microscopic and macroscopic levels, and the hydrogels showed rapid self-healing performance without any external stimulus owing to the dynamic covalent Schiff-base linkage between amine groups from CEC and benzaldehyde groups from PEGDA. The chemical structures, rheological property, in vitro gel degradation, morphology, gelation time and in vitro Dox release behavior from the hydrogels were characterized. Injectability was verified by in vitro injection and in vivo subcutaneous injection in a rat. pH-responsive behavior was verified by in vitro Dox release from hydrogels in PBS solutions with different pH values. Furthermore, the activity of Dox released from hydrogel matrix was evaluated by employing human hepatocellular liver carcinoma (HepG2). Cytotoxicity test of the hydrogels using L929 cells confirmed their good cytocompatibility. Together, these pH-responsive self-healing injectable hydrogels are excellent candidates as drug delivery vehicles for liver cancer treatment. STATEMENT OF SIGNIFICANCE: pH-responsive drug delivery system could release drug efficiently in targeted acid environment and minimalize the amount of drug release in normal physiological environment. pH-sensitive injectable hydrogels as smart anti-cancer drug delivery carriers show great potential application for cancer therapy. The hydrogels with self-healing property could prolong their lifetime during implantation and provide the advantage of minimally invasive surgery and high drug-loading ratio. This work reported the design of a series of pH-responsive self-healing injectable hydrogels based on N-carboxyethyl chitosan synthesized in aqueous solution and dibenzaldehyde-terminated poly(ethylene glycol) via a green approach, and demonstrated their potential as intelligent delivery vehicle of doxorubicin for hepatocellular carcinoma therapy via the pH-responsive nature of dynamic Schiff base. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Self-healing of low-velocity impact damage in glass fabric/epoxy composites using an epoxy-mercaptan healing agent

NASA Astrophysics Data System (ADS)

Chao Yuan, Yan; Ye, Yueping; Zhi Rong, Min; Chen, Haibin; Wu, Jingshen; Qiu Zhang, Ming; Qin, Shi Xiang; Yang, Gui Cheng

2011-01-01

Self-healing woven glass fabric-reinforced epoxy composite laminates were made by embedding epoxy- and mercaptan-loaded microcapsules. After being subjected to low-velocity impact, the laminates were able to heal the damage in an autonomic way at room temperature. The healing-induced reduction in the damaged areas was visualized using a scanning acoustic microscope. The rate of damage area reduction, which is closely related to the effect of crack rehabilitation and mechanical recovery, is a function of impact energy, content and size of the healing microcapsules. Minor damage, such as microcracks in the matrix, can be completely repaired by the healing system without manual intervention, including external pressure. Microcapsules with larger size and/or higher concentration are propitious for delivering more healing agent to cracked portions, while imposition of lateral pressure on damaged specimens forces the separated faces to approach each other. Both can improve the rate of damage area reduction in the case of severe damage.

Autonomous healing materials based on epoxidized natural rubber and ethylene methacrylic acid ionomers

NASA Astrophysics Data System (ADS)

Arifur Rahman, Md; Penco, Maurizio; Peroni, Isabella; Ramorino, Giorgio; Janszen, Gerardus; Di Landro, Luca

2012-03-01

The development of autonomous healing material has an enormous scientific and technological interest. In this context, this research work deals with the investigation of autonomous healing behavior of epoxidized natural rubber (ENR) and its blends with ethylene methacrylic acid ionomers. The autonomous healing behavior of ENR and its blends containing two different ionomers [poly(ethylene-co-methacrylic acid sodium salt) (EMNa) and poly(ethylene-co-methacrylic acid zinc salt) (EMZn)] has been studied by ballistic puncture tests. Interestingly, EMNa/ENR blends exhibit complete healing just after the ballistic test but EMZn/ENR blends do not show full self-repairing. The healing efficiency has been evaluated by optical microscopy and a depressurized air-flow test. The healing mechanism has been investigated by characterizing thermal and mechanical properties of the blends. The chemical structure studied by FTIR and thermal analysis show that the ion content of ionomers and functionality of ENR has a significant influence on the self-healing behavior.

Travelling to the south: Phylogeographic spatial diffusion model in Monttea aphylla (Plantaginaceae), an endemic plant of the Monte Desert

PubMed Central

Cosacov, Andrea; Ferreiro, Gabriela; Johnson, Leigh A.; Sérsic, Alicia N.

2017-01-01

Effects of Pleistocene climatic oscillations on plant phylogeographic patterns are relatively well studied in forest, savanna and grassland biomes, but such impacts remain less explored on desert regions of the world, especially in South America. Here, we performed a phylogeographical study of Monttea aphylla, an endemic species of the Monte Desert, to understand the evolutionary history of vegetation communities inhabiting the South American Arid Diagonal. We obtained sequences of three chloroplast (trnS–trnfM, trnH–psbA and trnQ–rps16) and one nuclear (ITS) intergenic spacers from 272 individuals of 34 localities throughout the range of the species. Population genetic and Bayesian coalescent analyses were performed to infer genealogical relationships among haplotypes, population genetic structure, and demographic history of the study species. Timing of demographic events was inferred using Bayesian Skyline Plot and the spatio-temporal patterns of lineage diversification was reconstructed using Bayesian relaxed diffusion models. Palaeo-distribution models (PDM) were performed through three different timescales to validate phylogeographical patterns. Twenty-five and 22 haplotypes were identified in the cpDNA and nDNA data, respectively. that clustered into two main genealogical lineages following a latitudinal pattern, the northern and the southern Monte (south of 35° S). The northern Monte showed two lineages of high genetic structure, and more relative stable demography than the southern Monte that retrieved three groups with little phylogenetic structure and a strong signal of demographic expansion that would have started during the Last Interglacial period (ca. 120 Ka). The PDM and diffusion models analyses agreed in the southeast direction of the range expansion. Differential effect of climatic oscillations across the Monte phytogeographic province was observed in Monttea aphylla lineages. In northern Monte, greater genetic structure and more relative stable demography resulted from a more stable climate than in the southern Monte. Pleistocene glaciations drastically decreased the species area in the southern Monte, which expanded in a southeastern direction to the new available areas during the interglacial periods. PMID:28582433

Recycling and Self-Healing of Polybenzoxazines with Dynamic Sulfide Linkages.

PubMed

Arslan, Mustafa; Kiskan, Baris; Yagci, Yusuf

2017-07-12

In this work, a recycling and self-healing strategy for polybenzoxazines through both S-S bond cleavage-reformation reaction and supramolecular attractions is described. Both recyclable and self-healable polybenzoxazines can be prepared from low cost chemicals with a simple procedure in only 30 minutes. For this purpose, inverse vulcanization of poly(propylene oxide)benzoxazine (PPOB) and diallybenzoxazine (B-al) with elemental sulfur was performed at 185 °C. The obtained cross-linked polymer films exhibited thermally driven recycling ability up to 5 cycles. Moreover, the self-healing ability of a test specimen was shown. Spectral characterizations, thermal stability and fracture toughness of the films were investigated after each recycling.

Mechanical Characterization of High-Performance Steel-Fiber Reinforced Cement Composites with Self-Healing Effect

PubMed Central

Kim, Dong Joo; Kang, Seok Hee; Ahn, Tae-Ho

2014-01-01

The crack self-healing behavior of high-performance steel-fiber reinforced cement composites (HPSFRCs) was investigated. High-strength deformed steel fibers were employed in a high strength mortar with very fine silica sand to decreasing the crack width by generating higher interfacial bond strength. The width of micro-cracks, strongly affected by the type of fiber and sand, clearly produced the effects on the self-healing behavior. The use of fine silica sand in HPSFRCs with high strength deformed steel fibers successfully led to rapid healing owing to very fine cracks with width less than 20 μm. The use of very fine silica sand instead of normal sand produced 17%–19% higher tensile strength and 51%–58% smaller width of micro-cracks. PMID:28788471

The Microwave Assisted Composite Manufacturing and Repair (MACMAR) Project

NASA Technical Reports Server (NTRS)

Falker, John; Terrier, Douglas; Clayton, Ronald G.; Worthy, Erica; Sosa, Edward

2015-01-01

The inherent microwave property of carbon nanotubes (CNTs) generates the thermal energy required to induce reversible polymerization of the matrix in these self-healing composites. Microwaves will be used to demonstrate advanced composite manufacturing and repair using self-healing composites.

Multifunctional Polymers and Composites for Self-Healing Applications

DTIC Science & Technology

2006-09-30

DCC) was obtained from Avocado . Reagent grade ether was purchased from Malinckrodt and anhydrous methylene chloride was purchased from Acros and...We have worked with several companies through sponsored research agreements to transition self-healing technology into the commercial market . These

Self healing of defected graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Jianhui; Shi, Tuwan; Cai, Tuocheng

For electronics applications, defects in graphene are usually undesirable because of their ability to scatter charge carriers, thereby reduce the carrier mobility. It would be extremely useful if the damage can be repaired. In this work, we employ Raman spectroscopy, X-ray photoemission spectroscopy, transmission electron microscopy, and electrical measurements to study defects in graphene introduced by argon plasma bombardment. We have found that majority of these defects can be cured by a simple thermal annealing process. The self-healing is attributed to recombination of mobile carbon adatoms with vacancies. With increasing level of plasma induced damage, the self-healing becomes less effective.

Molecular dynamics of reversible self-healing materials

NASA Astrophysics Data System (ADS)

Madden, Ian; Luijten, Erik

Hydrolyzable polymers have numerous industrial applications as degradable materials. Recent experimental work by Cheng and co-workers has introduced the concept of hindered urea bond (HUB) chemistry to design self-healing systems. Important control parameters are the steric hindrance of the HUB structures, which is used to tune the hydrolytic degradation kinetics, and their density. We employ molecular dynamics simulations of polymeric interfaces to systematically explore the role of these properties in a coarse-grained model, and make direct comparison to experimental data. Our model provides direct insight into the self-healing process, permitting optimization of the control parameters.

Tough Self-Healing Elastomers by Molecular Enforced Integration of Covalent and Reversible Networks.

PubMed

Wu, Jinrong; Cai, Li-Heng; Weitz, David A

2017-10-01

Self-healing polymers crosslinked by solely reversible bonds are intrinsically weaker than common covalently crosslinked networks. Introducing covalent crosslinks into a reversible network would improve mechanical strength. It is challenging, however, to apply this concept to "dry" elastomers, largely because reversible crosslinks such as hydrogen bonds are often polar motifs, whereas covalent crosslinks are nonpolar motifs. These two types of bonds are intrinsically immiscible without cosolvents. Here, we design and fabricate a hybrid polymer network by crosslinking randomly branched polymers carrying motifs that can form both reversible hydrogen bonds and permanent covalent crosslinks. The randomly branched polymer links such two types of bonds and forces them to mix on the molecular level without cosolvents. This enables a hybrid "dry" elastomer that is very tough with fracture energy 13500 Jm -2 comparable to that of natural rubber. Moreover, the elastomer can self-heal at room temperature with a recovered tensile strength 4 MPa, which is 30% of its original value, yet comparable to the pristine strength of existing self-healing polymers. The concept of forcing covalent and reversible bonds to mix at molecular scale to create a homogenous network is quite general and should enable development of tough, self-healing polymers of practical usage. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Highly Stretchable and Transparent Thermistor Based on Self-Healing Double Network Hydrogel.

PubMed

Wu, Jin; Han, Songjia; Yang, Tengzhou; Li, Zhong; Wu, Zixuan; Gui, Xuchun; Tao, Kai; Miao, Jianmin; Norford, Leslie K; Liu, Chuan; Huo, Fengwei

2018-06-06

An ultrastretchable thermistor that combines intrinsic stretchability, thermal sensitivity, transparency, and self-healing capability is fabricated. It is found the polyacrylamide/carrageenan double network (DN) hydrogel is highly sensitive to temperature and therefore can be exploited as a novel channel material for a thermistor. This thermistor can be stretched from 0 to 330% strain with the sensitivity as high as 2.6%/°C at extreme 200% strain. Noticeably, the mechanical, electrical, and thermal sensing properties of the DN hydrogel can be self-healed, analogous to the self-healing capability of human skin. The large mechanical deformations, such as flexion and twist with large angles, do not affect the thermal sensitivity. Good flexibility enables the thermistor to be attached on nonplanar curvilinear surfaces for practical temperature detection. Remarkably, the thermal sensitivity can be improved by introducing mechanical strain, making the sensitivity programmable. This thermistor with tunable sensitivity is advantageous over traditional rigid thermistors that lack flexibility in adjusting their sensitivity. In addition to superior sensitivity and stretchability compared with traditional thermistors, this DN hydrogel-based thermistor provides additional advantages of good transparency and self-healing ability, enabling it to be potentially integrated in soft robots to grasp real world information for guiding their actions.

Enzyme-Regulated Fast Self-Healing of a Pillararene-Based Hydrogel.

PubMed

Zhang, Xin; Xu, Jiayun; Lang, Chao; Qiao, Shanpeng; An, Guo; Fan, Xiaotong; Zhao, Linlu; Hou, Chunxi; Liu, Junqiu

2017-06-12

Self-healing, one of the exciting properties of materials, is frequently used to repair the damage of biological and artificial systems. Here we have used enzymatic catalysis approaches to develop a fast self-healing hydrogel, which has been constructed by dynamic aldimine cross-linking of pillar[5]arene-derivant and dialdehyde-functionalized PEG followed by encapsulation of glucose oxidase (GOx) and catalase (CAT). In specific, the two hydroxyl groups at terminal of PEG 4000 are functionalized with benzaldehydes that can interact with amino-containing pillar[5]arene-derivant through dynamic aldimine cross-links, resulting in reversible dynamic hydrogels. Modulus analysis indicated that storage modulus (G') and loss modulus (G″) of the hydrogel increased obviously as the concentration of dialdehyde-functionalized PEG 4000 (DF-PEG 4000 ) increased or the pH values decreased. Once glucose oxidase (GOx) and catalase (CAT) are located, the hydrogel could be fast repaired, with self-healing efficiency up to 100%. Notably tensile test showed that the repair process of pillararene-based hydrogel can finish in several minutes upon enzyme catalysis, while it needed more than 24 h to achieve this recovery without enzymes. This enzyme-regulated self-healing hydrogel would hold promise for delivering drugs and for soft tissue regeneration in the future.

Self-healable electrically conducting wires for wearable microelectronics.

PubMed

Sun, Hao; You, Xiao; Jiang, Yishu; Guan, Guozhen; Fang, Xin; Deng, Jue; Chen, Peining; Luo, Yongfeng; Peng, Huisheng

2014-09-01

Electrically conducting wires play a critical role in the advancement of modern electronics and in particular are an important key to the development of next-generation wearable microelectronics. However, the thin conducting wires can easily break during use, and the whole device fails to function as a result. Herein, a new family of high-performance conducting wires that can self-heal after breaking has been developed by wrapping sheets of aligned carbon nanotubes around polymer fibers. The aligned carbon nanotubes offer an effective strategy for the self-healing of the electric conductivity, whereas the polymer fiber recovers its mechanical strength. A self-healable wire-shaped supercapacitor fabricated from a wire electrode of this type maintained a high capacitance after breaking and self-healing. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Social Potential Fields Approach for Self-Deployment and Self-Healing in Hierarchical Mobile Wireless Sensor Networks

PubMed Central

González-Parada, Eva; Cano-García, Jose; Aguilera, Francisco; Sandoval, Francisco; Urdiales, Cristina

2017-01-01

Autonomous mobile nodes in mobile wireless sensor networks (MWSN) allow self-deployment and self-healing. In both cases, the goals are: (i) to achieve adequate coverage; and (ii) to extend network life. In dynamic environments, nodes may use reactive algorithms so that each node locally decides when and where to move. This paper presents a behavior-based deployment and self-healing algorithm based on the social potential fields algorithm. In the proposed algorithm, nodes are attached to low cost robots to autonomously navigate in the coverage area. The proposed algorithm has been tested in environments with and without obstacles. Our study also analyzes the differences between non-hierarchical and hierarchical routing configurations in terms of network life and coverage. PMID:28075364

A Social Potential Fields Approach for Self-Deployment and Self-Healing in Hierarchical Mobile Wireless Sensor Networks.

PubMed

González-Parada, Eva; Cano-García, Jose; Aguilera, Francisco; Sandoval, Francisco; Urdiales, Cristina

2017-01-09

Autonomous mobile nodes in mobile wireless sensor networks (MWSN) allow self-deployment and self-healing. In both cases, the goals are: (i) to achieve adequate coverage; and (ii) to extend network life. In dynamic environments, nodes may use reactive algorithms so that each node locally decides when and where to move. This paper presents a behavior-based deployment and self-healing algorithm based on the social potential fields algorithm. In the proposed algorithm, nodes are attached to low cost robots to autonomously navigate in the coverage area. The proposed algorithm has been tested in environments with and without obstacles. Our study also analyzes the differences between non-hierarchical and hierarchical routing configurations in terms of network life and coverage.

Self-Healing Efficiency of Cementitious Materials Containing Microcapsules Filled with Healing Adhesive: Mechanical Restoration and Healing Process Monitored by Water Absorption

PubMed Central

Li, Wenting; Jiang, Zhengwu; Yang, Zhenghong; Zhao, Nan; Yuan, Weizhong

2013-01-01

Autonomous crack healing of cementitious composite, a construction material that is susceptible to cracking, is of great significance to improve the serviceability and to prolong the longevity of concrete structures. In this study, the St-DVB microcapsules enclosing epoxy resins as the adhesive agent were embedded in cement paste to achieve self-healing capability. The self-healing efficiency was firstly assessed by mechanical restoration of the damaging specimens after being matured. The flexural and compressive configurations were both used to stimulate the localized and distributed cracks respectively. The effects of some factors, including the content of microcapsules, the curing conditions and the degree of damage on the healing efficiency were investigated. Water absorption was innovatively proposed to monitor and characterize the evolution of crack networks during the healing process. The healing cracks were observed by SEM-EDS following. The results demonstrated that the capsule-containing cement paste can achieve the various mechanical restorations depending on the curing condition and the degree of damage. But the voids generated by the surfactants compromised the strength. Though no noticeable improved stiffness obtained, the increasing fracture energy was seen particularly for the specimen acquiring 60% pre-damage. The sorptivity and amount of water decreased with cracks healing by the adhesive, which contributed to cut off and block ingress of water. The micrographs by SEM-EDS also validated that the cracks were bridged by the hardened epoxy as the dominated elements of C and O accounted for 95% by mass in the nearby cracks. PMID:24312328

Self-healing efficiency of cementitious materials containing microcapsules filled with healing adhesive: mechanical restoration and healing process monitored by water absorption.

PubMed

Li, Wenting; Jiang, Zhengwu; Yang, Zhenghong; Zhao, Nan; Yuan, Weizhong

2013-01-01

Autonomous crack healing of cementitious composite, a construction material that is susceptible to cracking, is of great significance to improve the serviceability and to prolong the longevity of concrete structures. In this study, the St-DVB microcapsules enclosing epoxy resins as the adhesive agent were embedded in cement paste to achieve self-healing capability. The self-healing efficiency was firstly assessed by mechanical restoration of the damaging specimens after being matured. The flexural and compressive configurations were both used to stimulate the localized and distributed cracks respectively. The effects of some factors, including the content of microcapsules, the curing conditions and the degree of damage on the healing efficiency were investigated. Water absorption was innovatively proposed to monitor and characterize the evolution of crack networks during the healing process. The healing cracks were observed by SEM-EDS following. The results demonstrated that the capsule-containing cement paste can achieve the various mechanical restorations depending on the curing condition and the degree of damage. But the voids generated by the surfactants compromised the strength. Though no noticeable improved stiffness obtained, the increasing fracture energy was seen particularly for the specimen acquiring 60% pre-damage. The sorptivity and amount of water decreased with cracks healing by the adhesive, which contributed to cut off and block ingress of water. The micrographs by SEM-EDS also validated that the cracks were bridged by the hardened epoxy as the dominated elements of C and O accounted for 95% by mass in the nearby cracks.

Microencapsulation of Polyfunctional Amines for Self-Healing of Epoxy-Based Composites

DTIC Science & Technology

2008-01-01

MICROENCAPSULATION OF POLYFUNCTIONAL AMINES FOR SELF-HEALING OF EPOXY-BASED COMPOSITES David A. McIlroy*§, Ben J. Blaiszik,¥ Paul V. Braun... microcapsules containing an amine hardener (DEH-52, Dow Chemical) for use as the hardener in a 2-part epoxy healing system consisting of epoxy...microscope. Scanning electron microscopy was performed on a Philips XL30 ESEM-FEG instrument. Microencapsulation Procedure. 10 g of a 2:1 v/v

Maze solving automatons for self-healing of open interconnects: Modular add-on for circuit boards

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nair, Aswathi; Raghunandan, Karthik; Yaswant, Vaddi

We present the circuit board integration of a self-healing mechanism to repair open faults. The electric field driven mechanism physically restores fractured interconnects in electronic circuits and has the ability to solve mazes. The repair is performed by conductive particles dispersed in an insulating fluid. We demonstrate the integration of the healing module onto printed circuit boards and the ability of maze solving. We model and perform experiments on the influence of the geometry of conductive particles as well as the terminal impedances of the route on the healing efficiency. The typical heal rate is 10 μm/s with healed route havingmore » mean resistance of 8 kΩ across a 200 micron gap and depending on the materials and concentrations used.« less

Radon detection in conical diffusion chambers: Monte Carlo calculations and experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rickards, J.; Golzarri, J. I.; Espinosa, G., E-mail: espinosa@fisica.unam.mx

2015-07-23

The operation of radon detection diffusion chambers of truncated conical shape was studied using Monte Carlo calculations. The efficiency was studied for alpha particles generated randomly in the volume of the chamber, and progeny generated randomly on the interior surface, which reach track detectors placed in different positions within the chamber. Incidence angular distributions, incidence energy spectra and path length distributions are calculated. Cases studied include different positions of the detector within the chamber, varying atmospheric pressure, and introducing a cutoff incidence angle and energy.

The kinetic activation-relaxation technique: an off-lattice, self-learning kinetic Monte Carlo algorithm with on-the-fly event search

NASA Astrophysics Data System (ADS)

Mousseau, Nomand

2012-02-01

While kinetic Monte Carlo algorithm has been proposed almost 40 years ago, its application in materials science has been mostly limited to lattice-based motion due to the difficulties associated with identifying new events and building usable catalogs when atoms moved into off-lattice position. Here, I present the kinetic activation-relaxation technique (kinetic ART) is an off-lattice, self-learning kinetic Monte Carlo algorithm with on-the-fly event search [1]. It combines ART nouveau [2], a very efficient unbiased open-ended activated method for finding transition states, with a topological classification [3] that allows a discrete cataloguing of local environments in complex systems, including disordered materials. In kinetic ART, local topologies are first identified for all atoms in a system. ART nouveau event searches are then launched for new topologies, building an extensive catalog of barriers and events. Next, all low energy events are fully reconstructed and relaxed, allowing to take complete account of elastic effects in the system's kinetics. Using standard kinetic Monte Carlo, the clock is brought forward and an event is then selected and applied before a new search for topologies is launched. In addition to presenting the various elements of the algorithm, I will discuss three recent applications to ion-bombarded silicon, defect diffusion in Fe and structural relaxation in amorphous silicon.[4pt] This work was done in collaboration with Laurent Karim B'eland, Peter Brommer, Fedwa El-Mellouhi, Jean-Francois Joly and Laurent Lewis.[4pt] [1] F. El-Mellouhi, N. Mousseau and L.J. Lewis, Phys. Rev. B. 78, 153202 (2008); L.K. B'eland et al., Phys. Rev. E 84, 046704 (2011).[2] G.T. Barkema and N. Mousseau, Phys. Rev. Lett. 77, 4358 (1996); E. Machado-Charry et al., J. Chem Phys. 135, 034102, (2011).[3] B.D. McKay, Congressus Numerantium 30, 45 (1981).

Parameters Free Computational Characterization of Defects in Transition Metal Oxides with Diffusion Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R.; Reboredo, Fernando

Materials based on transition metal oxides (TMO's) are among the most challenging systems for computational characterization. Reliable and practical computations are possible by directly solving the many-body problem for TMO's with quantum Monte Carlo (QMC) methods. These methods are very computationally intensive, but recent developments in algorithms and computational infrastructures have enabled their application to real materials. We will show our efforts on the application of the diffusion quantum Monte Carlo (DMC) method to study the formation of defects in binary and ternary TMO and heterostructures of TMO. We will also outline current limitations in hardware and algorithms. This work is supported by the Materials Sciences & Engineering Division of the Office of Basic Energy Sciences, U.S. Department of Energy (DOE).

Application of the bridged crack model for evaluation of materials repairing and self-healing

NASA Astrophysics Data System (ADS)

Perelmuter, M.

2017-12-01

The bridged crack model is used for analysis of repairing and self-healing of cracked structures. Material repairing is treated as insertions of external ligaments into cracks or placement of the reinforcing patches over cracks. Bonds destruction and regeneration at the crack bridged zone is evaluated by the thermo-fluctuation kinetic theory. The healing time is dependent on the chemical reaction rate of the healing agent, the crack size and the external loads. The decreasing of the stress intensity factors is used as the measure of the repairing and healing effects. The mathematical background of the problem solution is based on the methods of the singular integral-differential equations. The model can be used for the evaluation of composite materials durability.

The Microstructure and Pitting Resistance of Weld Joints of 2205 Duplex Stainless Steel

NASA Astrophysics Data System (ADS)

Wu, Mingfang; Liu, Fei; Pu, Juan; Anderson, Neil E.; Li, Leijun; Liu, Dashuang

2017-11-01

2205 duplex stainless steel (DSS) was welded by submerged arc welding. The effects of both heat input and groove type on the ferrite/austenite ratio and elemental diffusion of weld joints were investigated. The relationships among welding joint preparation, ferrite/austenite ratio, elemental diffusion, and pitting corrosion resistance of weld joints were analyzed. When the Ni content of the weld wire deposit was at minimum 2-4% higher than that of 2205 DSS base metal, the desired ratio of ferrite/austenite and elemental partitioning between the austenite and ferrite phases were obtained. While the pitting sensitivity of weld metal was higher than that of base metal, the self-healing capability of the passive film of weld metal was better than that of the base metal when a single V-type groove was used. Furthermore, the heat input should be carefully controlled since pitting corrosion occurred readily in the coarse-grained heat-affected zone near the fusion line of welded joints.

Delayed wound healing after tooth extraction and self-reported kyphosis in Japanese men and women

PubMed Central

Taguchi, Akira; Kamimura, Mikio; Nakamura, Yukio; Sugino, Noriyuki; Ichinose, Akira; Maezumi, Hisayoshi; Fukuzawa, Takashi; Ashizawa, Ryouhei; Takahara, Kenji; Gushiken, Susumu; Mukaiyama, Keijiro; Ikegami, Shota; Uchiyama, Shigeharu; Kato, Hiroyuki

2016-01-01

It is unclear whether osteoporosis itself is a main risk factor for delayed wound healing after tooth extraction in humans. In this study, we evaluated the association between experience of delayed wound healing after last tooth extraction and self-reported kyphosis, with the possibility of having vertebral fractures, in Japanese patients. Among the 1,504 patients who responded to the structured questionnaire survey, 518 patients (134 men and 384 women) aged 55–97 years finally participated in this study. Patients who self-reported mild-moderate kyphosis were more likely to have problematic delayed wound healing after last tooth extraction than those who reported severe kyphosis (odds ratio [OR] 4.98; 95% confidence interval [CI], 1.86–13.38 and OR 2.30; 95% CI, 0.52–10.22, respectively) (p for trend = 0.005). Japanese patients with vertebral fractures may have a higher risk of having problematic delayed wound healing after tooth extraction. PMID:27848958

Delayed wound healing after tooth extraction and self-reported kyphosis in Japanese men and women.

PubMed

Taguchi, Akira; Kamimura, Mikio; Nakamura, Yukio; Sugino, Noriyuki; Ichinose, Akira; Maezumi, Hisayoshi; Fukuzawa, Takashi; Ashizawa, Ryouhei; Takahara, Kenji; Gushiken, Susumu; Mukaiyama, Keijiro; Ikegami, Shota; Uchiyama, Shigeharu; Kato, Hiroyuki

2016-11-16

It is unclear whether osteoporosis itself is a main risk factor for delayed wound healing after tooth extraction in humans. In this study, we evaluated the association between experience of delayed wound healing after last tooth extraction and self-reported kyphosis, with the possibility of having vertebral fractures, in Japanese patients. Among the 1,504 patients who responded to the structured questionnaire survey, 518 patients (134 men and 384 women) aged 55-97 years finally participated in this study. Patients who self-reported mild-moderate kyphosis were more likely to have problematic delayed wound healing after last tooth extraction than those who reported severe kyphosis (odds ratio [OR] 4.98; 95% confidence interval [CI], 1.86-13.38 and OR 2.30; 95% CI, 0.52-10.22, respectively) (p for trend = 0.005). Japanese patients with vertebral fractures may have a higher risk of having problematic delayed wound healing after tooth extraction.

TiO2 nanotubes and mesoporous silica as containers in self-healing epoxy coatings

PubMed Central

Vijayan P., Poornima; Al-Maadeed, Mariam Ali S. A.

2016-01-01

The potential of inorganic nanomaterials as reservoirs for healing agents is presented here. Mesoporous silica (SBA-15) and TiO2 nanotubes (TNTs) were synthesized. Both epoxy-encapsulated TiO2 nanotubes and amine-immobilized mesoporous silica were incorporated into epoxy and subsequently coated on a carbon steel substrate. The encapsulated TiO2 nanotubes was quantitatively estimated using a ‘dead pore ratio’ calculation. The morphology of the composite coating was studied in detail using transmission electron microscopic (TEM) analysis. The self-healing ability of the coating was monitored using electrochemical impedance spectroscopy (EIS); the coating recovered 57% of its anticorrosive property in 5 days. The self-healing of the scratch on the coating was monitored using Scanning Electron Microscopy (SEM). The results confirmed that the epoxy pre-polymer was slowly released into the crack. The released epoxy pre-polymer came into contact with the amine immobilized in mesoporous silica and cross-linked to heal the scratch. PMID:27941829

Injection of thermal and suprathermal seed particles into coronal shocks of varying obliquity

NASA Astrophysics Data System (ADS)

Battarbee, M.; Vainio, R.; Laitinen, T.; Hietala, H.

2013-10-01

Context. Diffusive shock acceleration in the solar corona can accelerate solar energetic particles to very high energies. Acceleration efficiency is increased by entrapment through self-generated waves, which is highly dependent on the amount of accelerated particles. This, in turn, is determined by the efficiency of particle injection into the acceleration process. Aims: We present an analysis of the injection efficiency at coronal shocks of varying obliquity. We assessed injection through reflection and downstream scattering, including the effect of a cross-shock potential. Both quasi-thermal and suprathermal seed populations were analysed. We present results on the effect of cross-field diffusion downstream of the shock on the injection efficiency. Methods: Using analytical methods, we present applicable injection speed thresholds that were compared with both semi-analytical flux integration and Monte Carlo simulations, which do not resort to binary thresholds. Shock-normal angle θBn and shock-normal velocity Vs were varied to assess the injection efficiency with respect to these parameters. Results: We present evidence of a significant bias of thermal seed particle injection at small shock-normal angles. We show that downstream isotropisation methods affect the θBn-dependence of this result. We show a non-negligible effect caused by the cross-shock potential, and that the effect of downstream cross-field diffusion is highly dependent on boundary definitions. Conclusions: Our results show that for Monte Carlo simulations of coronal shock acceleration a full distribution function assessment with downstream isotropisation through scatterings is necessary to realistically model particle injection. Based on our results, seed particle injection at quasi-parallel coronal shocks can result in significant acceleration efficiency, especially when combined with varying field-line geometry. Appendices are available in electronic form at http://www.aanda.org

Lithium manganese oxide spinel electrodes

NASA Astrophysics Data System (ADS)

Darling, Robert Mason

Batteries based oil intercalation eletrodes are currently being considered for a variety of applications including automobiles. This thesis is concerned with the simulation and experimental investigation of one such system: spinel LiyMn2O4. A mathematical model simulating the behavior of an electrochemical cell containing all intercalation electrode is developed and applied to Li yMn2O4 based systems. The influence of the exchange current density oil the propagation of the reaction through the depth of the electrode is examined theoretically. Galvanostatic cycling and relaxation phenomena on open circuit are simulated for different particle-size distributions. The electrode with uniformly sized particles shows the best performance when the current is on, and relaxes towards equilibrium most quickly. The impedance of a porous electrode containing a particle-size distribution at low frequencies is investigated with all analytic solution and a simplified version of the mathematical model. The presence of the particle-size distribution leads to an apparent diffusion coefficient which has all incorrect concentration dependence. A Li/1 M LiClO4 in propylene carbonate (PC)/ LiyMn 2O4 cell is used to investigate the influence of side reactions oil the current-potential behavior of intercalation electrodes. Slow cyclic voltammograms and self-discharge data are combined to estimate the reversible potential of the host material and the kinetic parameters for the side reaction. This information is then used, together with estimates of the solid-state diffusion coefficient and main-reaction exchange current density, in a mathematical model of the system. Predictions from the model compare favorably with continuous cycling results and galvanostatic experiments with periodic current interruptions. The variation with respect to composition of' the diffusion coefficient of lithium in LiyMn2O4 is estimated from incomplete galvanostatic discharges following open-circult periods. The results compared favorably with those available in the literature. Dynamic Monte Carlo simulations were conducted to investigate the concentration dependence of the diffusion coefficient fundamentally. The dynamic Monte Carlo predictions compare favorably with the experimental data.

Dynamic Monte Carlo description of thermal desorption processes

NASA Astrophysics Data System (ADS)

Weinketz, Sieghard

1994-07-01

The applicability of the dynamic Monte Carlo method of Fichthorn and Weinberg, in which the time evolution of a system is described in terms of the absolute number of different microscopic possible events and their associated transition rates, is discussed for the case of thermal desorption simulations. It is shown that the definition of the time increment at each successful event leads naturally to the macroscopic differential equation of desorption, in the case of simple first- and second-order processes in which the only possible events are desorption and diffusion. This equivalence is numerically demonstrated for a second-order case. In the sequence, the equivalence of this method with the Monte Carlo method of Sales and Zgrablich for more complex desorption processes, allowing for lateral interactions between adsorbates, is shown, even though the dynamic Monte Carlo method does not bear their limitation of a rapid surface diffusion condition, thus being able to describe a more complex ``kinetics'' of surface reactive processes, and therefore be applied to a wider class of phenomena, such as surface catalysis.

Kinetic Monte Carlo Simulations of Oxygen Diffusion in Environmental Barrier Coating Materials

NASA Technical Reports Server (NTRS)

Good, Brian S.

2017-01-01

Ceramic Matrix Composite (CMC) materials are of interest for use in next-generation turbine engine components, offering a number of significant advantages, including reduced weight and high operating temperatures. However, in the hot environment in which such components operate, the presence of water vapor can lead to corrosion and recession, limiting the useful life of the components. Such degradation can be reduced through the use of Environmental Barrier Coatings (EBCs) that limit the amount of oxygen and water vapor reaching the component. Candidate EBC materials include Yttrium and Ytterbium silicates. In this work we present results of kinetic Monte Carlo (kMC) simulations of oxygen diffusion, via the vacancy mechanism, in Yttrium and Ytterbium disilicates, along with a brief discussion of interstitial diffusion.

Monte-Carlo simulation of a stochastic differential equation

NASA Astrophysics Data System (ADS)

Arif, ULLAH; Majid, KHAN; M, KAMRAN; R, KHAN; Zhengmao, SHENG

2017-12-01

For solving higher dimensional diffusion equations with an inhomogeneous diffusion coefficient, Monte Carlo (MC) techniques are considered to be more effective than other algorithms, such as finite element method or finite difference method. The inhomogeneity of diffusion coefficient strongly limits the use of different numerical techniques. For better convergence, methods with higher orders have been kept forward to allow MC codes with large step size. The main focus of this work is to look for operators that can produce converging results for large step sizes. As a first step, our comparative analysis has been applied to a general stochastic problem. Subsequently, our formulization is applied to the problem of pitch angle scattering resulting from Coulomb collisions of charge particles in the toroidal devices.

Layer-by-Layer Assembly of Fluorine-Free Polyelectrolyte-Surfactant Complexes for the Fabrication of Self-Healing Superhydrophobic Films.

PubMed

Wu, Mengchun; An, Ni; Li, Yang; Sun, Junqi

2016-11-29

Fluorine-free self-healing superhydrophobic films are of significance for practical applications because of their extended service life and cost-effective and eco-friendly preparation process. In this study, we report the fabrication of fluorine-free self-healing superhydrophobic films by layer-by-layer (LbL) assembly of poly(sodium 4-styrenesulfonate) (PSS)-1-octadecylamine (ODA) complexes (PSS-ODA) and poly(allylamine hydrochloride) (PAH)-sodium dodecyl sulfonate (SDS) (PAH-SDS) complexes. The wettability of the LbL-assembled PSS-ODA/PAH-SDS films depends on the film structure and can be tailored by changing the NaCl concentration in aqueous dispersions of PSS-ODA complexes and the number of film deposition cycles. The freshly prepared PSS-ODA/PAH-SDS film with micro- and nanoscaled hierarchical structures is hydrophilic and gradually changes to superhydrophobic in air because the polyelectrolyte-complexed ODA and SDS surfactants tend to migrate to the film surface to cover the film with hydrophobic alkyl chains to lower its surface energy. The large amount of ODA and SDS surfactants loaded in the superhydrophobic PSS-ODA/PAH-SDS films and the autonomic migration of these surfactants to the film surface endow the resultant superhydrophobic films with an excellent self-healing ability to restore the damaged superhydrophobicity. The self-healing superhydrophobic PSS-ODA/PAH-SDS films are mechanically robust and can be deposited on various flat and nonflat substrates. The LbL assembly of oppositely charged polyelectrolyte-surfactant complexes provides a new way for the fabrication of fluorine-free self-healing superhydrophobic films with satisfactory mechanical stability, enhanced reliability, and extended service life.

Assessment of Brazil’s Research Literature

DTIC Science & Technology

2007-09-28

Autonomously interconnecting with real-time monitoring • Secure, survivable, self - healing , and adaptable • Resistant to jamming • Homeland and... self - healing platforms • Force Protection • Anti-swimmer technology • Detect and determine threat intent • Non-lethal response Associated CV...Brazilian strengths in chemistry and several industrially oriented R&D domains. We apply text clustering to obtain “ self -organizing tables of

Lightweight Combat Vehicle S and T Campaign

DTIC Science & Technology

2014-10-06

research in nano-materials, self - healing /diagnosing materials, multi-functional materials, and environmentally acceptable materials. The application...research includes nano-materials, self - healing /diagnosing materials, multi-functional materials, and environmentally acceptable materials.5 The 2003...hubs must be led by a not-for-profit organization, provide 50% cost share match, and are expected to become self -sufficient in 5 years. So far, all

Nanostructured Materials

DTIC Science & Technology

2012-08-30

improve oxidation resistance due to a rapidly forming ceramic-like, passivating and self - healing silica layer when exposed to high incident fluxes...have stronger bond dissociation energies (-8.3 eV). The POSS cage is not destroyed by the AO, but forms a passivating self -rigidizing/ self - healing ...polymers (including amorphous, semi-crystalline, crystalline, and rubber , etc.) possess con- siderable amounts of internal and external free volume

Bacteria-based concrete: from concept to market

NASA Astrophysics Data System (ADS)

Wiktor, V.; Jonkers, H. M.

2016-08-01

The concept of self-healing concrete—a concrete which can autonomously repair itself after crack formation, with no or limited human intervention—has received a lot of attention over the past 10 years as it could help structures to last longer and at a lower maintenance cost. This paper gives an overview on the key aspects and recent advances in the development of the bacteria-based self-healing concrete developed at the University of Technology of Delft (The Netherlands). Research started with the screening and selection of concrete compatible bacteria and nutrients. Several types of encapsulated bacteria and nutrients have been developed and tested. The functionality of these healing agents was demonstrated by showing metabolic activity of activated bacterial spores by oxygen consumption measurements and by regain of material functionality in form of regain of water tightness. Besides development of bacteria-based self-healing concrete, a bacteria-based repair mortar and liquid system were developed for the treatment of aged concrete structures. Field trials have been carried out with either type of bacteria-based systems and the promising results have led to a spinoff company Basilisk Self-Healing Concrete with the aim to further develop these systems and bring them to the market.

Superstretchable, Self-Healing Polymeric Elastomers with Tunable Properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Peng-Fei; Li, Bingrui; Hong, Tao

Utilization of self-healing chemistry to develop synthetic polymer materials that can heal themselves with restored mechanical performance and functionality is of great interest. Self-healable polymer elastomers with tunable mechanical properties are especially attractive for a variety of applications. In this paper, a series of urea functionalized poly(dimethyl siloxane)-based elastomers (U-PDMS-Es) are reported with extremely high stretchability, self-healing mechanical properties, and recoverable gas-separation performance. Tailoring the molecular weights of poly(dimethyl siloxane) or weight ratio of elastic cross-linker offers tunable mechanical properties of the obtained U-PDMS-Es, such as ultimate elongation (from 984% to 5600%), Young's modulus, ultimate tensile strength, toughness, and elasticmore » recovery. The U-PDMS-Es can serve as excellent acoustic and vibration damping materials over a broad range of temperature (over 100 °C). The strain-dependent elastic recovery behavior of U-PDMS-Es is also studied. After mechanical damage, the U-PDMS-Es can be healed in 120 min at ambient temperature or in 20 min at 40 °C with completely restored mechanical performance. Lastly, the U-PDMS-Es are also demonstrated to exhibit recoverable gas-separation functionality with retained permeability/selectivity after being damaged.« less

Improved self-healing of polyethylene/carbon black nanocomposites by their shape memory effect.

PubMed

Wang, Xiaoyan; Zhao, Jun; Chen, Min; Ma, Lan; Zhao, Xiaodong; Dang, Zhi-Min; Wang, Zhenwen

2013-02-07

In this work, the improved self-healing of cross-linked polyethylene (PE) (cPE)/carbon black (CB) nanocomposites by their shape memory effect (SME) is investigated. CB nanoparticles are found to be homogeneously dispersed in the PE matrix and significantly increase the strength of the materials. Compared with the breaking of linear PE (lPE) at the melting temperature (T(m)), the cPE and cPE/CB nanocomposites still have high strength above T(m) due to the formation of networks. The cPE and cPE/CB nanocomposites show both high strain fixity ratio (R(f)) and high strain recovery ratio (R(r)). Crystallization-induced elongation is observed for all the prepared shape memory polymer (SMP) materials and the effect becomes less remarkable with increasing volume fraction of CB nanoparticles (v(CB)). The scratch self-healing tests show that the cross-linking of PE matrix, the addition of CB nanoparticles, and the previous stretching in the direction perpendicular to the scratch favor the closure of the scratch and its complete healing. This SME-aided self-healing could have potential applications in diverse fields such as coating and structure materials.

Synthesis and characterization of melamine-urea-formaldehyde microcapsules containing ENB-based self-healing agents

NASA Astrophysics Data System (ADS)

Liu, Xing; Sheng, Xia; Lee, Jong Keun; Kessler, Michael R.

2007-07-01

Microcapsules for self-healing applications were produced with a melamine-urea-formaldehyde (MUF) polymer shell containing two different healing agent candidates, ENB (5-ethylidene-2-norbornene) and ENB with 10 wt.% of a norbornene based crosslinking agent (CL), by in-situ polymerization in an oil-in-water emulsion. Relatively neat outer surfaces with minor roughness were observed on the MUF microcapsules under optical and scanning electron microscopy. Shell thickness of the capsules ranged from 700 to 900 nm. Particle size analysis of the microcapsules showed narrow size distributions with a mean diameter of 113 μm for ENB-filled and 122 μm for ENB+CL-filled microcapsules at an agitation rate of 500 rpm. The microcapsules were found to be thermally stable up to 300°C and exhibited a 10 to 15 % weight loss when isothermally held at 150°C for 2 hr from thermogravimetric analysis. Overall, these MUF microcapsules exhibited superior properties compared to the urea-formaldehyde (UF) microcapsules used extensively for self-healing composites to date. In addition, the manufacturing process of MUF microcapsules is much simpler than those made from UF. Additional advantages of MUF microcapsules for self-healing composites are discussed.

Ionic Modification Turns Commercial Rubber into a Self-Healing Material.

PubMed

Das, Amit; Sallat, Aladdin; Böhme, Frank; Suckow, Marcus; Basu, Debdipta; Wiessner, Sven; Stöckelhuber, Klaus Werner; Voit, Brigitte; Heinrich, Gert

2015-09-23

Invented by Charles Goodyear, chemical cross-linking of rubbers by sulfur vulcanization is the only method by which modern automobile tires are manufactured. The formation of these cross-linked network structures leads to highly elastic properties, which substantially reduces the viscous properties of these materials. Here, we describe a simple approach to converting commercially available and widely used bromobutyl rubber (BIIR) into a highly elastic material with extraordinary self-healing properties without using conventional cross-linking or vulcanising agents. Transformation of the bromine functionalities of BIIR into ionic imidazolium bromide groups results in the formation of reversible ionic associates that exhibit physical cross-linking ability. The reversibility of the ionic association facilitates the healing processes by temperature- or stress-induced rearrangements, thereby enabling a fully cut sample to retain its original properties after application of the self-healing process. Other mechanical properties, such as the elastic modulus, tensile strength, ductility, and hysteresis loss, were found to be superior to those of conventionally sulfur-cured BIIR. This simple and easy approach to preparing a commercial rubber with self-healing properties offers unique development opportunities in the field of highly engineered materials, such as tires, for which safety, performance, and longer fatigue life are crucial factors.

Superstretchable, Self-Healing Polymeric Elastomers with Tunable Properties

DOE PAGES

Cao, Peng-Fei; Li, Bingrui; Hong, Tao; ...

2018-04-16

Utilization of self-healing chemistry to develop synthetic polymer materials that can heal themselves with restored mechanical performance and functionality is of great interest. Self-healable polymer elastomers with tunable mechanical properties are especially attractive for a variety of applications. In this paper, a series of urea functionalized poly(dimethyl siloxane)-based elastomers (U-PDMS-Es) are reported with extremely high stretchability, self-healing mechanical properties, and recoverable gas-separation performance. Tailoring the molecular weights of poly(dimethyl siloxane) or weight ratio of elastic cross-linker offers tunable mechanical properties of the obtained U-PDMS-Es, such as ultimate elongation (from 984% to 5600%), Young's modulus, ultimate tensile strength, toughness, and elasticmore » recovery. The U-PDMS-Es can serve as excellent acoustic and vibration damping materials over a broad range of temperature (over 100 °C). The strain-dependent elastic recovery behavior of U-PDMS-Es is also studied. After mechanical damage, the U-PDMS-Es can be healed in 120 min at ambient temperature or in 20 min at 40 °C with completely restored mechanical performance. Lastly, the U-PDMS-Es are also demonstrated to exhibit recoverable gas-separation functionality with retained permeability/selectivity after being damaged.« less

Process for Self-Repair of Insulation Material

NASA Technical Reports Server (NTRS)

Parrish, Clyde F. (Inventor)

2007-01-01

A self-healing system for an insulation material initiates a self-repair process by rupturing a plurality of microcapsules disposed on the insulation material. When the plurality of microcapsules are ruptured reactants witlun the plurality of microcapsules react to form a replacement polymer in a break of the insulation material. This self-healing system has the ability to repair multiple breaks in a length of insulation material without exhausting the repair properties of the material.

Process for self-repair of insulation material

NASA Technical Reports Server (NTRS)

Parrish, Clyde F. (Inventor)

2007-01-01

A self-healing system for an insulation material initiates a self-repair process by rupturing a plurality of microcapsules disposed on the insulation material. When the plurality of microcapsules are ruptured reactants within the plurality of microcapsules react to form a replacement polymer in a break of the insulation material. This self-healing system has the ability to repair multiple breaks in a length of insulation material without exhausting the repair properties of the material.

Hydraulically amplified self-healing electrostatic actuators with muscle-like performance

NASA Astrophysics Data System (ADS)

Acome, E.; Mitchell, S. K.; Morrissey, T. G.; Emmett, M. B.; Benjamin, C.; King, M.; Radakovitz, M.; Keplinger, C.

2018-01-01

Existing soft actuators have persistent challenges that restrain the potential of soft robotics, highlighting a need for soft transducers that are powerful, high-speed, efficient, and robust. We describe a class of soft actuators, termed hydraulically amplified self-healing electrostatic (HASEL) actuators, which harness a mechanism that couples electrostatic and hydraulic forces to achieve a variety of actuation modes. We introduce prototypical designs of HASEL actuators and demonstrate their robust, muscle-like performance as well as their ability to repeatedly self-heal after dielectric breakdown—all using widely available materials and common fabrication techniques. A soft gripper handling delicate objects and a self-sensing artificial muscle powering a robotic arm illustrate the wide potential of HASEL actuators for next-generation soft robotic devices.

Giant Steps in Cefalù

NASA Astrophysics Data System (ADS)

Jeffery, David J.; Mazzali, Paolo A.

2007-08-01

Giant steps is a technique to accelerate Monte Carlo radiative transfer in optically-thick cells (which are isotropic and homogeneous in matter properties and into which astrophysical atmospheres are divided) by greatly reducing the number of Monte Carlo steps needed to propagate photon packets through such cells. In an optically-thick cell, packets starting from any point (which can be regarded a point source) well away from the cell wall act essentially as packets diffusing from the point source in an infinite, isotropic, homogeneous atmosphere. One can replace many ordinary Monte Carlo steps that a packet diffusing from the point source takes by a randomly directed giant step whose length is slightly less than the distance to the nearest cell wall point from the point source. The giant step is assigned a time duration equal to the time for the RMS radius for a burst of packets diffusing from the point source to have reached the giant step length. We call assigning giant-step time durations this way RMS-radius (RMSR) synchronization. Propagating packets by series of giant steps in giant-steps random walks in the interiors of optically-thick cells constitutes the technique of giant steps. Giant steps effectively replaces the exact diffusion treatment of ordinary Monte Carlo radiative transfer in optically-thick cells by an approximate diffusion treatment. In this paper, we describe the basic idea of giant steps and report demonstration giant-steps flux calculations for the grey atmosphere. Speed-up factors of order 100 are obtained relative to ordinary Monte Carlo radiative transfer. In practical applications, speed-up factors of order ten and perhaps more are possible. The speed-up factor is likely to be significantly application-dependent and there is a trade-off between speed-up and accuracy. This paper and past work suggest that giant-steps error can probably be kept to a few percent by using sufficiently large boundary-layer optical depths while still maintaining large speed-up factors. Thus, giant steps can be characterized as a moderate accuracy radiative transfer technique. For many applications, the loss of some accuracy may be a tolerable price to pay for the speed-ups gained by using giant steps.

Use of Monte Carlo simulation for the interpretation and analysis of diffuse scattering

NASA Astrophysics Data System (ADS)

Welberry, T. R.; Chan, E. J.; Goossens, D. J.; Heerdegen, A. P.

2010-02-01

With the development of computer simulation methods there is, for the first time, the possibility of having a single general method that can be used for any diffuse scattering problem in any type of system. As computers get ever faster it is expected that current methods will become increasingly powerful and applicable to a wider and wider range of problems and materials and provide results in increasingly fine detail. In this article we discuss two contrasting recent examples. The first is concerned with the two polymorphic forms of the pharmaceutical compound benzocaine. The strong and highly structured diffuse scattering in these is shown to be symptomatic of the presence of highly correlated molecular motions. The second concerns Ag+ fast ion conduction in the pearceite/polybasite family of mineral solid electrolytes. Here Monte-Carlo simulation is used to model the diffuse scattering and gain insight into how the ionic conduction arises.

The effect of catastrophic collisional fragmentation and diffuse medium accretion on a computational interstellar dust system

NASA Technical Reports Server (NTRS)

Liffman, Kurt

1990-01-01

The effects of catastrophic collisional fragmentation and diffuse medium accretion on a the interstellar dust system are computed using a Monte Carlo computer model. The Monte Carlo code has as its basis an analytic solution of the bulk chemical evolution of a two-phase interstellar medium, described by Liffman and Clayton (1989). The model is subjected to numerous different interstellar processes as it transfers from one interstellar phase to another. Collisional fragmentation was found to be the dominant physical process that shapes the size spectrum of interstellar dust. It was found that, in the diffuse cloud phase, 90 percent of the refractory material is locked up in the dust grains, primarily due to accretion in the molecular medium. This result is consistent with the observed depletions of silicon. Depletions were found to be affected only slightly by diffuse cloud accretion.

Monte Carlo simulations of particle acceleration at oblique shocks: Including cross-field diffusion

NASA Technical Reports Server (NTRS)

Baring, M. G.; Ellison, D. C.; Jones, F. C.

1995-01-01

The Monte Carlo technique of simulating diffusive particle acceleration at shocks has made spectral predictions that compare extremely well with particle distributions observed at the quasi-parallel region of the earth's bow shock. The current extension of this work to compare simulation predictions with particle spectra at oblique interplanetary shocks has required the inclusion of significant cross-field diffusion (strong scattering) in the simulation technique, since oblique shocks are intrinsically inefficient in the limit of weak scattering. In this paper, we present results from the method we have developed for the inclusion of cross-field diffusion in our simulations, namely model predictions of particle spectra downstream of oblique subluminal shocks. While the high-energy spectral index is independent of the shock obliquity and the strength of the scattering, the latter is observed to profoundly influence the efficiency of injection of cosmic rays into the acceleration process.

Self-healing of cracks in Ag joining layer for die-attachment in power devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Chuantong, E-mail: chenchuantong@sanken.osaka-u.ac.jp; Nagao, Shijo; Suganuma, Katsuaki

Sintered silver (Ag) joining has attracted significant interest in power devices modules for its ability to form stable joints with a porous interconnection layer. A function for the self-healing of cracks in sintered porous Ag interlayers at high temperatures is discovered and reported here. A crack which was prepared on a Ag joining layer was closed after heating at 200 °C in air. The tensile strength of pre-cracked Ag joining layer specimens recovers to the value of non-cracked specimens after heating treatment. Transmission electron microscopy (TEM) was used to probe the self-healing mechanism. TEM images and electron diffraction patterns show thatmore » a large quantity of Ag nanoparticles formed at the gap with the size less than 10 nm, which bridges the crack in the self-healing process. This discovery provides additional motivation for the application of Ag as an interconnection material for power devices at high temperature.« less

Covalently Cross-linked Elastomers with Self-Healing and Malleable Abilities Enabled by Boronic Ester Bonds.

PubMed

Chen, Yi; Tang, Zhenghai; Zhang, Xuhui; Liu, Yingjun; Wu, Siwu; Guo, Baochun

2018-06-26

Covalently cross-linked rubbers are renowned for their high elasticity that play an indispensable role in various applications including tires, seals, medical implants. Development of self-healing and malleable rubbers is highly desirable as it allows for damage repair and reprocessibility to extend the lifetime and alleviate environmental pollution. Herein, we propose a facile approach to prepare permanently cross-linked yet self-healing and recyclable diene-rubber by programming dynamic boronic ester linkages into the network. The network is synthesized through one-pot thermally initiated thiol-ene "click" reaction between a novel dithiol-containing boronic ester cross-linker and commonly used styrene-butadiene rubber (SBR) without modifying the macromolecular structure. The resulted samples are covalently cross-linked and possess relatively high mechanical strength which can be readily tailored by varying boronic ester content. Owning to the transesterification of boronic ester bonds, the samples can alter network topologies, endowing the materials with self-healing ability and malleability.

Self-Healing Gelatin Hydrogels Cross-Linked by Combining Multiple Hydrogen Bonding and Ionic Coordination.

PubMed

Zhang, Guangzhao; Lv, Lei; Deng, Yonghong; Wang, Chaoyang

2017-06-01

Self-healing hydrogels have been studied by many researchers via multiple cross-linking approaches including physical and chemical interactions. It is an interesting project in multifunctional hydrogel exploration that a water soluble polymer matrix is cross-linked by combining the ionic coordination and the multiple hydrogen bonds to fabricate self-healing hydrogels with injectable property. This study introduces a general procedure of preparing the hydrogels (termed gelatin-UPy-Fe) cross-linked by both ionic coordination of Fe 3+ and carboxyl group from the gelatin and the quadruple hydrogen bonding interaction from the ureido-pyrimidinone (UPy) dimers. The gelatin-UPy-Fe hydrogels possess an excellent self-healing property. The effects of the ionic coordination of Fe 3+ and quadruple hydrogen bonding of UPy on the formation and mechanical behavior of the prepared hydrogels are investigated. In vitro drug release of the gelatin-UPy-Fe hydrogels is also observed, giving an intriguing glimpse into possible biological applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

NASA Technical Reports Server (NTRS)

Good, Brian S.

2015-01-01

Ytterbium disilicate is of interest as a potential environmental barrier coating for aerospace applications, notably for use in next generation jet turbine engines. In such applications, the transport of oxygen and water vapor through these coatings to the ceramic substrate is undesirable if high temperature oxidation is to be avoided. In an effort to understand the diffusion process in these materials, we have performed kinetic Monte Carlo simulations of vacancy-mediated and interstitial oxygen diffusion in Ytterbium disilicate. Oxygen vacancy and interstitial site energies, vacancy and interstitial formation energies, and migration barrier energies were computed using Density Functional Theory. We have found that, in the case of vacancy-mediated diffusion, many potential diffusion paths involve large barrier energies, but some paths have barrier energies smaller than one electron volt. However, computed vacancy formation energies suggest that the intrinsic vacancy concentration is small. In the case of interstitial diffusion, migration barrier energies are typically around one electron volt, but the interstitial defect formation energies are positive, with the result that the disilicate is unlikely to exhibit experience significant oxygen permeability except at very high temperature.

Wear-triggered self-healing behavior on the surface of nanocrystalline nickel aluminum bronze/Ti3SiC2 composites

NASA Astrophysics Data System (ADS)

Zhai, Wenzheng; Lu, Wenlong; Zhang, Po; Wang, Jian; Liu, Xiaojun; Zhou, Liping

2018-04-01

Self-healing can protect materials from diverse damages, but is intrinsically difficult in metals. This paper demonstrates a potential method through a simultaneous decomposition and oxidation of Ti3SiC2 to achieve healing of stress cracking on the surface of nickel aluminum bronze (NAB)/Ti3SiC2 nanocrystalline composites during fretting wear. At the finest nanocrystalline materials, a crack recovery would be attained at 76.5%. The repetitive fretting wear leads to a modest amount of 'flowability' of Ti3SiC2 toward the crack, facilitating crack recovery. Along with the wear-triggered self-healing, the NAB/Ti3SiC2 shows an improved tribological performance with the stable decreased friction torque due to the formation of lubrication TiO2 oxide.

An Ab Initio and Kinetic Monte Carlo Simulation Study of Lithium Ion Diffusion on Graphene

PubMed Central

Zhong, Kehua; Yang, Yanmin; Xu, Guigui; Zhang, Jian-Min; Huang, Zhigao

2017-01-01

The Li+ diffusion coefficients in Li+-adsorbed graphene systems were determined by combining first-principle calculations based on density functional theory with Kinetic Monte Carlo simulations. The calculated results indicate that the interactions between Li ions have a very important influence on lithium diffusion. Based on energy barriers directly obtained from first-principle calculations for single-Li+ and two-Li+ adsorbed systems, a new equation predicting energy barriers with more than two Li ions was deduced. Furthermore, it is found that the temperature dependence of Li+ diffusion coefficients fits well to the Arrhenius equation, rather than meeting the equation from electrochemical impedance spectroscopy applied to estimate experimental diffusion coefficients. Moreover, the calculated results also reveal that Li+ concentration dependence of diffusion coefficients roughly fits to the equation from electrochemical impedance spectroscopy in a low concentration region; however, it seriously deviates from the equation in a high concentration region. So, the equation from electrochemical impedance spectroscopy technique could not be simply used to estimate the Li+ diffusion coefficient for all Li+-adsorbed graphene systems with various Li+ concentrations. Our work suggests that interactions between Li ions, and among Li ion and host atoms will influence the Li+ diffusion, which determines that the Li+ intercalation dependence of Li+ diffusion coefficient should be changed and complex. PMID:28773122

FT-IR Investigation of Hoveyda-Grubbs'2{sup nd} Generation Catalyst in Self-Healing Epoxy Mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guadagno, Liberata; Naddeo, Carlo; Vittoria, Vittoria

The development of smart composites capable of self-repair on aeronautical structures is still at the planning stage owing to complex issues to overcome. A very important issue to solve concerns the components' stability of the proposed composites which are compromised at the cure temperatures necessary for good performance of the composite. In this work we analyzed the possibility to apply Hoveyda Grubbs' second generation catalyst (HG2) to develop self-healing systems. Our experimental results have shown critical issues in the use of epoxy precursors in conjunction with Hoveyda-Grubbs II metathesis catalyst. However, an appropriate curing cycle of the self-healing mixture permitsmore » to overcome the critical issues making possible high temperatures for the curing process without deactivating self-repair activity.« less

Biochemical process of ureolysis-based microbial CaCO3 precipitation and its application in self-healing concrete.

PubMed

Xu, Jing; Wang, Xianzhi; Wang, Binbin

2018-04-01

Urea hydrolysis has already been considered as the most effective pathway for microbially induced CaCO 3 precipitation (MICP). The present work first studied the combination of several key factors including initial pH, temperature, and dosage of urea, which contribute to the biochemical process of MICP. Under an amiable condition of pH and temperature, the dosage of urea has a significant impact on the rate of urea degradation and CaCO 3 precipitation. A bacteria-based self-healing system was developed by loading healing agents on ceramsite carriers. The self-healing efficiency was evaluated by visual inspection on crack closure, compressive strength regain, and capillary water absorption. A preferable healing effectiveness was obtained when the bacteria and organic nutrients were co-immobilized in carriers. Image analysis showed that cracks up to 273 μm could be healed with a crack closure ratio of 86% in 28 days. The compressive strength regain increased 24% and the water absorption coefficient decreased 27% compared to the reference. The findings indicated a promising application of ureolysis-based MICP in restoring the mechanical properties and enhancing the durability of concrete.

Self-healing woven glass fabric/epoxy composites with the healant consisting of micro-encapsulated epoxy and latent curing agent

NASA Astrophysics Data System (ADS)

Yin, Tao; Zhou, Lin; Zhi Rong, Min; Qiu Zhang, Ming

2008-02-01

This paper reports a study of self-healing woven glass fabric reinforced epoxy composites. The healing agent was a two-component one synthesized in the authors' laboratory, which consisted of epoxy-loaded urea-formaldehyde microcapsules as the polymerizable binder and CuBr2(2-methylimidazole)4 (CuBr2(2-MeIm)4) as the latent hardener. Both the microcapsules and the matching catalyst were pre-embedded and pre-dissolved in the composites' matrix, respectively. When the microcapsules are split by propagating cracks, the uncured epoxy can be released into the damaged areas and then consolidated under the catalysis of CuBr2(2-MeIm)4 that was homogeneously distributed in the composites' matrix on a molecular scale. As a result, the cracked faces can be bonded together. The influence of the content of the self-healing agent on the composites' tensile properties, interlaminar fracture toughness and healing efficiency was evaluated. It was found that a healing efficiency over 70% relative to the fracture toughness of virgin composites was obtained in the case of 30 wt% epoxy-loaded microcapsules and 2 wt% latent hardener.

Injectable Self-Healing Hydrogel with Antimicrobial and Antifouling Properties.

PubMed

Li, Lin; Yan, Bin; Yang, Jingqi; Huang, Weijuan; Chen, Lingyun; Zeng, Hongbo

2017-03-22

Microbial adhesion, biofilm formation and associated microbial infection are common challenges faced by implanted biomaterials (e.g., hydrogels) in bioengineering applications. In this work, an injectable self-healing hydrogel with antimicrobial and antifouling properties was prepared through self-assembly of an ABA triblock copolymer employing catechol functionalized polyethylene glycol (PEG) as A block and poly{[2-(methacryloyloxy)-ethyl] trimethylammonium iodide}(PMETA) as B block. This hydrogel exhibits excellent thermosensitivity, and can effectively inhibit the growth of E. coli (>99.8% killing efficiency) and prevent cell attachment. It can also heal autonomously from repeated damage, through mussel-inspired catechol-mediated hydrogen bonding and aromatic interactions, exhibiting great potential in bioengineering applications.

Fast-acting self-healing metallic fuse.

NASA Technical Reports Server (NTRS)

Schwartz, F. C.; Renton, C. A.; Rabinovici, B.

1971-01-01

Description of a fast-acting nonmechanical self-healing mercury fuse capable of protecting a high current circuit or device from overcurrent fault damages. Basically the self-healing fuse consists of two enclosed mercury reservoirs connected by a fine capillary tube filled with mercury that serves as the fusing element. It is pointed out that a better understanding of the energy conversion process involved in the operation of the device could help explore other device configurations (such as a tapering geometry and use of magnetic field to drive the arc into the fuse wall on inductive loads, etc.) and thus extend the range of capabilities for this type of protective device.

Optimization of process factors for self-healing vanadium-based conversion coating on AZ31 magnesium alloy

NASA Astrophysics Data System (ADS)

Li, Kun; Liu, Junyao; Lei, Ting; Xiao, Tao

2015-10-01

A self-healing vanadium-based conversion coating was prepared on AZ31 magnesium alloy. The optimum operating conditions including vanadia solution concentration, pH and treating temperature for obtaining the best corrosion protective vanadia coatings and improved localized corrosion resistance to the magnesium substrate were determined by an orthogonal experiment design. Surface morphology and composition of the resultant conversion coatings were investigated by scanning electron microscope (SEM) and X-ray photoelectron spectroscopy (XPS). The self-healing behavior of the coating was investigated by cross-cut immersion test and electrochemical impedance spectroscopy (EIS) measurements in 3.5% NaCl solution.

Self-avoiding walk on a square lattice with correlated vacancies

NASA Astrophysics Data System (ADS)

Cheraghalizadeh, J.; Najafi, M. N.; Mohammadzadeh, H.; Saber, A.

2018-04-01

The self-avoiding walk on the square site-diluted correlated percolation lattice is considered. The Ising model is employed to realize the spatial correlations of the metric space. As a well-accepted result, the (generalized) Flory's mean-field relation is tested to measure the effect of correlation. After exploring a perturbative Fokker-Planck-like equation, we apply an enriched Rosenbluth Monte Carlo method to study the problem. To be more precise, the winding angle analysis is also performed from which the diffusivity parameter of Schramm-Loewner evolution theory (κ ) is extracted. We find that at the critical Ising (host) system, the exponents are in agreement with Flory's approximation. For the off-critical Ising system, we find also a behavior for the fractal dimension of the walker trace in terms of the correlation length of the Ising system ξ (T ) , i.e., DFSAW(T ) -DFSAW(Tc) ˜1/√{ξ (T ) } .

Laboratory development and field demonstration of self-sealing/self-healing landfill liner.

PubMed

Shi, Caijun; Booth, Rob

2005-01-01

The self-sealing/self-healing (SS/SH) barrier concept is based on the principle that two or more parent materials placed in vertical or horizontal layers will react at their interfaces to form insoluble reaction products. These products constitute a seamless impermeable seal, which is resistant to the transmission of leachate and contaminants. A SS/SH liner formulation was developed in the laboratory and demonstrated at the Sudokwon landfill site in South Korea. Laboratory testing results indicated that a seal with a hydraulic conductivity less than 10(-9) m/s formed after two to four weeks of curing at room temperature, and the seal healed itself after it was fractured. The use of the soil from the Sudokwon landfill site instead of sand as the matrix of the parent materials in the SS/SH liner retarded the sealing and healing of the seal, but did not show an obvious effect on the overall sealing and healing capacity of the seal at early stages. The construction and installation of the field demonstration SS/SH liner were carried out in the same way as for a soil cement liner. The quality of the liner was ensured by the enforcement of quality analysis/quality control procedures during installation. A single sealed ring infiltration test was performed on the field demonstration liner 36 days after the installation was completed. The measurement of water infiltration rate indicated that the liner healed after it was fractured. However, the long-term sealing and healing capacity needs to be further investigated.

Timescales of magmatic processes prior to the ˜4.7 ka Agnano-Monte Spina eruption (Campi Flegrei caldera, Southern Italy) based on diffusion chronometry from sanidine phenocrysts

NASA Astrophysics Data System (ADS)

Iovine, Raffaella Silvia; Fedele, Lorenzo; Mazzeo, Fabio Carmine; Arienzo, Ilenia; Cavallo, Andrea; Wörner, Gerhard; Orsi, Giovanni; Civetta, Lucia; D'Antonio, Massimo

2017-02-01

Barium diffusion chronometry applied to sanidine phenocrysts from the trachytic Agnano-Monte Spina eruption (˜4.7 ka) constrains the time between reactivation and eruption of magma batches in the Campi Flegrei caldera. Backscattered electron imaging and quantitative electron microprobe measurements on 50 sanidine phenocrysts from representative pumice samples document core-to-rim compositional zoning. We focus on compositional breaks near the crystal rims that record magma mixing processes just prior to eruption. Diffusion times were modeled at a magmatic temperature of 930 °C using profiles based on quantitative BaO point analyses, X-ray scans, and grayscale swath profiles, yielding times ≤60 years between mixing and eruption. Such short timescales are consistent with volcanological and geochronological data that indicate that at least six eruptions occurred in the Agnano-San Vito area during few centuries before the Agnano-Monte Spina eruption. Thus, the short diffusion timescales are similar to time intervals between eruptions. Therefore, the rejuvenation time of magma residing in a shallow reservoir after influx of a new magma batch that triggered the eruption, and thus pre-eruption warning times, may be as short as years to a few decades at Campi Flegrei caldera.

Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters

NASA Astrophysics Data System (ADS)

Christensen, H. M.; Jake, L. C.; Curotto, E.

2016-05-01

In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n-dipoles clusters in the n = 8-20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.

A Lattice Kinetic Monte Carlo Solver for First-Principles Microkinetic Trend Studies

DOE PAGES

Hoffmann, Max J.; Bligaard, Thomas

2018-01-22

Here, mean-field microkinetic models in combination with Brønsted–Evans–Polanyi like scaling relations have proven highly successful in identifying catalyst materials with good or promising reactivity and selectivity. Analysis of the microkinetic model by means of lattice kinetic Monte Carlo promises a faithful description of a range of atomistic features involving short-range ordering of species in the vicinity of an active site. In this paper, we use the “fruit fly” example reaction of CO oxidation on fcc(111) transition and coinage metals to motivate and develop a lattice kinetic Monte Carlo solver suitable for the numerically challenging case of vastly disparate rate constants.more » As a result, we show that for the case of infinitely fast diffusion and absence of adsorbate-adsorbate interaction it is, in fact, possible to match the prediction of the mean-field-theory method and the lattice kinetic Monte Carlo method. As a corollary, we conclude that lattice kinetic Monte Carlo simulations of surface chemical reactions are most likely to provide additional insight over mean-field simulations if diffusion limitations or adsorbate–adsorbate interactions have a significant influence on the mixing of the adsorbates.« less

A Lattice Kinetic Monte Carlo Solver for First-Principles Microkinetic Trend Studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffmann, Max J.; Bligaard, Thomas

Here, mean-field microkinetic models in combination with Brønsted–Evans–Polanyi like scaling relations have proven highly successful in identifying catalyst materials with good or promising reactivity and selectivity. Analysis of the microkinetic model by means of lattice kinetic Monte Carlo promises a faithful description of a range of atomistic features involving short-range ordering of species in the vicinity of an active site. In this paper, we use the “fruit fly” example reaction of CO oxidation on fcc(111) transition and coinage metals to motivate and develop a lattice kinetic Monte Carlo solver suitable for the numerically challenging case of vastly disparate rate constants.more » As a result, we show that for the case of infinitely fast diffusion and absence of adsorbate-adsorbate interaction it is, in fact, possible to match the prediction of the mean-field-theory method and the lattice kinetic Monte Carlo method. As a corollary, we conclude that lattice kinetic Monte Carlo simulations of surface chemical reactions are most likely to provide additional insight over mean-field simulations if diffusion limitations or adsorbate–adsorbate interactions have a significant influence on the mixing of the adsorbates.« less

Criticality Calculations with MCNP6 - Practical Lectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Forrest B.; Rising, Michael Evan; Alwin, Jennifer Louise

2016-11-29

These slides are used to teach MCNP (Monte Carlo N-Particle) usage to nuclear criticality safety analysts. The following are the lecture topics: course information, introduction, MCNP basics, criticality calculations, advanced geometry, tallies, adjoint-weighted tallies and sensitivities, physics and nuclear data, parameter studies, NCS validation I, NCS validation II, NCS validation III, case study 1 - solution tanks, case study 2 - fuel vault, case study 3 - B&W core, case study 4 - simple TRIGA, case study 5 - fissile mat. vault, criticality accident alarm systems. After completion of this course, you should be able to: Develop an input modelmore » for MCNP; Describe how cross section data impact Monte Carlo and deterministic codes; Describe the importance of validation of computer codes and how it is accomplished; Describe the methodology supporting Monte Carlo codes and deterministic codes; Describe pitfalls of Monte Carlo calculations; Discuss the strengths and weaknesses of Monte Carlo and Discrete Ordinants codes; The diffusion theory model is not strictly valid for treating fissile systems in which neutron absorption, voids, and/or material boundaries are present. In the context of these limitations, identify a fissile system for which a diffusion theory solution would be adequate.« less

Inhibition of HIV-1 infection by aqueous extracts of Prunella vulgaris L

USDA-ARS?s Scientific Manuscript database

The mint family produces many metabolites with medicinal properties. Several species are reported to have antiviral activity, including lemon balm, peppermint, hyssop, basil, sage and self-heal. To further characterize the anti-lentiviral activity of self-heal (Prunella vulgaris), we tested water an...

Holistic nurses' stories of personal healing.

PubMed

Smith, Marlaine C; Zahourek, Rothlyn; Hines, Mary Enzman; Engebretson, Joan; Wardell, Diane Wind

2013-09-01

The purpose of this study was to uncover the nature, experiences, and meaning of personal healing for holistic nurses through their narrative accounts. The study employed a qualitative descriptive design with methods of narrative and story inquiry. Participants were nurse attendees at an American Holistic Nurses' Association conference who volunteered for the study. They were invited to share a story about healing self or another. Twenty-five stories were collected; seven were about personal healing, and these are the focus of this analysis. Data were analyzed using a hybrid approach from narrative and story inquiry methods. Eleven themes were clustered under three story segments. The themes within the Call to the Healing Encounter are the following: recognition of the need to resolve a personal or health crisis, knowledge of or engagement in self-care practices, and reliance on intuitive knowing. Themes under the Experience of Healing are the following: connections; profound sensations, perceptions, and events; awareness of the reciprocal nature of healing; inner resolution: forgiveness, awakening, and acceptance; use of multiple holistic approaches; and witnessing manifestations of healing. The themes for Insights are the following: gratitude and appreciation and ongoing journey. A metastory synthesizing the themes is presented, and findings are related to existing literature on healing.

Structure-correlated diffusion anisotropy in nanoporous channel networks by Monte Carlo simulations and percolation theory

NASA Astrophysics Data System (ADS)

Kondrashova, Daria; Valiullin, Rustem; Kärger, Jörg; Bunde, Armin

2017-07-01

Nanoporous silicon consisting of tubular pores imbedded in a silicon matrix has found many technological applications and provides a useful model system for studying phase transitions under confinement. Recently, a model for mass transfer in these materials has been elaborated [Kondrashova et al., Sci. Rep. 7, 40207 (2017)], which assumes that adjacent channels can be connected by "bridges" (with probability pbridge) which allows diffusion perpendicular to the channels. Along the channels, diffusion can be slowed down by "necks" which occur with probability pneck. In this paper we use Monte-Carlo simulations to study diffusion along the channels and perpendicular to them, as a function of pbridge and pneck, and find remarkable correlations between the diffusivities in longitudinal and radial directions. For clarifying the diffusivity in radial direction, which is governed by the concentration of bridges, we applied percolation theory. We determine analytically how the critical concentration of bridges depends on the size of the system and show that it approaches zero in the thermodynamic limit. Our analysis suggests that the critical properties of the model, including the diffusivity in radial direction, are in the universality class of two-dimensional lattice percolation, which is confirmed by our numerical study.

The Effect of 4-Octyldecyloxybenzoic Acid on Liquid-Crystalline Polyurethane Composites with Triple-Shape Memory and Self-Healing Properties

PubMed Central

Ban, Jianfeng; Zhu, Linjiang; Chen, Shaojun; Wang, Yiping

2016-01-01

To better understand shape memory materials and self-healing materials, a new series of liquid-crystalline shape memory polyurethane (LC-SMPU) composites, named SMPU-OOBAm, were successfully prepared by incorporating 4-octyldecyloxybenzoic acid (OOBA) into the PEG-based SMPU. The effect of OOBA on the structure, morphology, and properties of the material has been carefully investigated. The results demonstrate that SMPU-OOBAm has liquid crystalline properties, triple-shape memory properties, and self-healing properties. The incorporated OOBA promotes the crystallizability of both soft and hard segments of SMPU, and the crystallization rate of the hard segment of SMPU decreases when the OOBA-content increases. Additionally, the SMPU-OOBAm forms a two-phase separated structure (SMPU phase and OOBA phase), and it shows two-step modulus changes upon heating. Therefore, the SMPU-OOBAm exhibits triple-shape memory behavior, and the shape recovery ratio decreases with an increase in the OOBA content. Finally, SMPU-OOBAm exhibits self-healing properties. The new mechanism can be ascribed to the heating-induced “bleeding” of OOBA in the liquid crystalline state and the subsequent re-crystallization upon cooling. This successful combination of liquid crystalline properties, triple-shape memory properties, and self-healing properties make the SMPU-OOBAm composites ideal for many promising applications in smart optical devices, smart electronic devices, and smart sensors. PMID:28773914

Active self-healing encapsulation of vaccine antigens in PLGA microspheres

PubMed Central

Desai, Kashappa-Goud H.; Schwendeman, Steven P.

2013-01-01

Herein, we describe the detailed development of a simple and effective method to microencapsulate vaccine antigens in poly(lactic-co-glycolic acid) (PLGA) by simple mixing of preformed active self-microencapsulating (SM) PLGA microspheres in a low concentration aqueous antigen solution at modest temperature (10-38 °C). Co-encapsulating protein-sorbing vaccine adjuvants and polymer plasticizers were used to “actively” load the protein in the polymer pores and facilitate polymer self-healing at temperature > hydrated polymer glass transition temperature, respectively. The microsphere formulation parameters and loading conditions to provide optimal active self-healing microencapsulation of vaccine antigen in PLGA was investigated. Active self-healing encapsulation of two vaccine antigens, ovalbumin and tetanus toxoid (TT), in PLGA microspheres was adjusted by preparing blank microspheres containing different vaccine adjuvant (aluminum hydroxide (Al(OH)3) or calcium phosphate). Active loading of vaccine antigen in Al(OH)3-PLGA microspheres was found to: a) increase proportionally with an increasing loading of Al(OH)3 (0.88-3 wt%) and addition of porosigen, b) decrease when the inner Al(OH)3/trehalose phase to 1 mL outer oil phase and size of microspheres was respectively > 0.2 mL and 63 μm, and c) change negligibly by PLGA concentration and initial incubation (loading) temperature. Encapsulation of protein sorbing Al(OH)3 in PLGA microspheres resulted in suppression of self-healing of PLGA pores, which was then overcome by improving polymer chain mobility, which in turn was accomplished by coincorporating hydrophobic plasticizers in PLGA. Active self-healing microencapsulation of manufacturing process-labile TT in PLGA was found to: a) obviate micronization- and organic solvent-induced TT degradation, b) improve antigen loading (1.4-1.8 wt% TT) and encapsulation efficiency (~ 97%), c) provide nearly homogeneous distribution and stabilization of antigen in polymer, and d) provide improved in vitro controlled release of antigenic TT. PMID:23103983

Self-healing properties of recycled asphalt mixtures containing metal waste: An approach through microwave radiation heating.

PubMed

González, A; Norambuena-Contreras, J; Storey, L; Schlangen, E

2018-05-15

The concept of self-healing asphalt mixtures by bitumen temperature increase has been used by researchers to create an asphalt mixture with crack-healing properties by microwave or induction heating. Metals, normally steel wool fibers (SWF), are added to asphalt mixtures prepared with virgin materials to absorb and conduct thermal energy. Metal shavings, a waste material from the metal industry, could be used to replace SWF. In addition, reclaimed asphalt pavement (RAP) could be added to these mixtures to make a more sustainable road material. This research aimed to evaluate the effect of adding metal shavings and RAP on the properties of asphalt mixtures with crack-healing capabilities by microwave heating. The research indicates that metal shavings have an irregular shape with widths larger than typical SWF used with asphalt self-healing purposes. The general effect of adding metal shavings was an improvement in the crack-healing of asphalt mixtures, while adding RAP to mixtures with metal shavings reduced the healing. The average surface temperature of the asphalt samples after microwave heating was higher than temperatures obtained by induction heating, indicating that shavings are more efficient when mixtures are heated by microwave radiation. CT scan analysis showed that shavings uniformly distribute in the mixture, and the addition of metal shavings increases the air voids. Overall, it is concluded that asphalt mixtures with RAP and waste metal shavings have the potential of being crack-healed by microwave heating. Copyright © 2018 Elsevier Ltd. All rights reserved.

Enhanced gas absorption in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) confined in silica slit pores: a molecular simulation study.

PubMed

Shi, Wei; Luebke, David R

2013-05-07

Two-dimensional NPxyT and isostress-osmotic (N2PxyTf1) Monte Carlo simulations were used to compute the density and gas absorption properties of the ionic liquid (IL) 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) confined in silica slit pores (25-45 Å). Self-diffusivity values for both gas and IL were calculated from NVE molecular dynamics simulations using both smooth and atomistic potential models for silica. The simulations showed that the molar volume of [hmim][Tf2N] confined in 25-45-Å silica slit pores is 12-31% larger than that of the bulk IL at 313-573 K and 1 bar. The amounts of CO2, H2, and N2 absorbed in the confined IL are 1.1-3 times larger than those in the bulk IL because of the larger molar volume of the confined IL compared to the bulk IL. The CO2, N2, and H2 molecules are generally absorbed close to the silica wall where the IL density is very low. This arrangement causes the self-diffusivities of these gases in the confined IL to be 2-8 times larger than those in the bulk IL at 298-573 K. The solubilities of water in the confined and bulk ILs are similar, which is likely due to strong water interactions with [hmim][Tf2N] through hydrogen bonding, so that the molar volume of the confined IL plays a less important role in determining the H2O solubility. Water molecules are largely absorbed in the IL-rich region rather than close to the silica wall. The self-diffusivities of water correlate with those of the confined IL. The confined IL exhibits self-diffusivities larger than those of the bulk IL at lower temperatures, but smaller than those of the bulk IL at higher temperatures. The findings from our simulations are consistent with available experimental data for similar confined IL systems.

Correlation factors for atomic diffusion in nondilute multicomponent alloys with arbitrary vacancy concentration

NASA Astrophysics Data System (ADS)

Tahir-Kheli, R. A.

1983-09-01

Vacancy-assisted tracer diffusion in a multicomponent kinetic alloy consisting of xλ N atoms with hopping rate Jλ (where λ≡A, B, C, etc.) and υN vacancies (where υ=1-λxλ) distributed randomly over a regular d-dimensional (where d>=2) hypercubic, or close-packed, lattice of N sites is analyzed through a self-consistent renormalization of a recent theory of Tahir-Kheli and Elliott combined with a generalization of concepts introduced by Manning. The result for the tracer-diffusion correlation factor is the following: ftr=H''(tr)[H''(tr)+2J0], where J0 is the tracer-hopping rate, H''(tr) is a generalized effective vacancy escape frequency, H''(tr)=[M(1-υ)[J0υftr+Jeff], where Jeff is an effective hopping rate of the background atoms averaged with a weighting factor proportional to xλ and fλ, i.e., Jeff=λ(Jλxλfλ)λ(xλfλ) and M=-(1+<θ>)<θ>. For a single-component alloy, with particle concentration x, Jλ=J, and vacancy concentration υ=1-x our theory provides an excellent overall description of the correlation factor as long as JJ0>~z-2. Indeed, even for J-->0, the calculated results agree with the Monte Carlo estimates, except in the immediate vicinity of the percolation threshold, υp, which is located self-consistently to an accuracy of the order 1z.

High-Temperature Inorganic Self-Healing Inorganic Cement Composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pyatina, Tatiana; Sugama, Toshifumi

The data files below summarize the results from various experiments testing properties of high-temperature self-healing inorganic cement composites. These properties include cement-carbon steel bond strength, Young's modulus recovery, matrix recovery strength, and compressive strength and Yonug's modulus for cement composites modified with Pozzolanic Clay additives.

Improving the self-healing properties of concrete materials by using composite actions with fiber reinforced polymers.

DOT National Transportation Integrated Search

2013-06-01

This research study is motivated by the need to reduce the costs of maintenance and repair of the aging transportation infrastructure in the US. The proposed approach is to use self-healing concrete. The objectives of this study were: (1) to evaluate...

Polyfibroblast: A Self-Healing and Galvanic Protection Additive

DTIC Science & Technology

2013-01-25

flour , the rapid addition of liquid created lumps in the powder that were difficult to remove. This issue did not appear to result from the material...probably the worst thing that one can do to the self-healing primer. Small scratches will prematurely rupture the microcapsules that tend to be enriched

Monte Carlo sampling in diffusive dynamical systems

NASA Astrophysics Data System (ADS)

Tapias, Diego; Sanders, David P.; Altmann, Eduardo G.

2018-05-01

We introduce a Monte Carlo algorithm to efficiently compute transport properties of chaotic dynamical systems. Our method exploits the importance sampling technique that favors trajectories in the tail of the distribution of displacements, where deviations from a diffusive process are most prominent. We search for initial conditions using a proposal that correlates states in the Markov chain constructed via a Metropolis-Hastings algorithm. We show that our method outperforms the direct sampling method and also Metropolis-Hastings methods with alternative proposals. We test our general method through numerical simulations in 1D (box-map) and 2D (Lorentz gas) systems.

Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids

DOE PAGES

Nazarov, Roman; Shulenburger, Luke; Morales, Miguel A.; ...

2016-03-28

We performed diffusion Monte Carlo (DMC) calculations of the spectroscopic properties of a large set of molecules, assessing the effect of different approximations. In systems containing elements with large atomic numbers, we show that the errors associated with the use of nonlocal mean-field-based pseudopotentials in DMC calculations can be significant and may surpass the fixed-node error. In conclusion, we suggest practical guidelines for reducing these pseudopotential errors, which allow us to obtain DMC-computed spectroscopic parameters of molecules and equation of state properties of solids in excellent agreement with experiment.

Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nazarov, Roman; Shulenburger, Luke; Morales, Miguel A.

We performed diffusion Monte Carlo (DMC) calculations of the spectroscopic properties of a large set of molecules, assessing the effect of different approximations. In systems containing elements with large atomic numbers, we show that the errors associated with the use of nonlocal mean-field-based pseudopotentials in DMC calculations can be significant and may surpass the fixed-node error. In conclusion, we suggest practical guidelines for reducing these pseudopotential errors, which allow us to obtain DMC-computed spectroscopic parameters of molecules and equation of state properties of solids in excellent agreement with experiment.

A strong and stretchable self-healing film with self-activated pressure sensitivity for potential artificial skin applications

PubMed Central

Hou, Chengyi; Huang, Tao; Wang, Hongzhi; Yu, Hao; Zhang, Qinghong; Li, Yaogang

2013-01-01

Artificial skin, which mimics the functions of natural skin, will be very important in the future for robots used by humans in daily life. However, combining skin's pressure sensitivity and mechanical self-healing properties in a man-made material remains a challenging task. Here, we show that graphene and polymers can be integrated into a thin film which mimics both the mechanical self-healing and pressure sensitivity behavior of natural skin without any external power supply. Its ultimate strain and tensile strength are even two and ten times larger than the corresponding values of human skin, respectively. It also demonstrates highly stable sensitivity to a very light touch (0.02 kPa), even in bending or stretching states. PMID:24190511

Atomic Origins of the Self-Healing Function in Cement–Polymer Composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Manh-Thuong; Wang, Zheming; Rod, Kenton A.

Motivated by recent advances in self-healing cement and epoxy polymer composites, we present a combined ab initio molecular dynamics and sum frequency generation (SFG) spectroscopy study of a calcium-silicate-hydrate/polymer interface. On stable, low-defect surfaces, the polymer only weakly adheres through coordination and hydrogen bonding interactions and can be easily mobilized towards defected surfaces. Conversely, on fractured surfaces, the polymer strongly anchors through ionic Ca-O bonds resulting from the deprotonation of polymer hydroxyl groups. In addition, polymer S-S groups are turned away from the cement/polymer interface, allowing for the self-healing function within the polymer. The overall elasticity and healing properties ofmore » these composites stem from a flexible hydrogen bonding network that can readily adapt to surface morphology. The theoretical vibrational signals associated with the proposed cement-polymer interfacial chemistry were confirmed experimentally by SFG spectroscopy.« less

Magnetic Field Triggered Multicycle Damage Sensing and Self Healing.

PubMed

Ahmed, Anansa S; Ramanujan, R V

2015-09-08

Multifunctional materials inspired by biological structures have attracted great interest, e.g. for wearable/ flexible "skin" and smart coatings. A current challenge in this area is to develop an artificial material which mimics biological skin by simultaneously displaying color change on damage as well as self healing of the damaged region. Here we report, for the first time, the development of a damage sensing and self healing magnet-polymer composite (Magpol), which actively responds to an external magnetic field. We incorporated reversible sensing using mechanochromic molecules in a shape memory thermoplastic matrix. Exposure to an alternating magnetic field (AMF) triggers shape recovery and facilitates damage repair. Magpol exhibited a linear strain response upto 150% strain and complete recovery after healing. We have demonstrated the use of this concept in a reusable biomedical device i.e., coated guidewires. Our findings offer a new synergistic method to bestow multifunctionality for applications ranging from medical device coatings to adaptive wing structures.

Atomic Origins of the Self-Healing Function in Cement-Polymer Composites.

PubMed

Nguyen, Manh-Thuong; Wang, Zheming; Rod, Kenton A; Childers, M Ian; Fernandez, Carlos; Koech, Phillip K; Bennett, Wendy D; Rousseau, Roger; Glezakou, Vassiliki-Alexandra

2018-01-24

Motivated by recent advances in self-healing cement and epoxy polymer composites, we present a combined ab initio molecular dynamics and sum frequency generation (SFG) vibrational spectroscopy study of a calcium-silicate-hydrate/polymer interface. On stable, low-defect surfaces, the polymer only weakly adheres through coordination and hydrogen bonding interactions and can be easily mobilized toward defected surfaces. Conversely, on fractured surfaces, the polymer strongly anchors through ionic Ca-O bonds resulting from the deprotonation of polymer hydroxyl groups. In addition, polymer S-S groups are turned away from the cement-polymer interface, allowing for the self-healing function within the polymer. The overall elasticity and healing properties of these composites stem from a flexible hydrogen bonding network that can readily adapt to surface morphology. The theoretical vibrational signals associated with the proposed cement-polymer interfacial chemistry were confirmed experimentally by SFG vibrational spectroscopy.

Investigation of hydrophobic interactions mediating the self-assembly of supramolecular host/guest polymer complexes utilizing Simultaneous Multiple Sample Light Scattering (SMSLS)

NASA Astrophysics Data System (ADS)

Payne, Molly; Jarand, Curtis; Grayson, Scott; Reed, Wayne

While living systems spontaneously heal injuries, most man made materials cannot recover from damage. Incorporating self-healing properties into synthetic polymers could significantly extend product lifetime, safety, and applications. Most reported approaches to incorporate healing into synthetic materials, however, require external stimuli such as chemical additives, heat, and light exposure. Although dynamic bonds have been explored, particularly using a hydrogen bond motif, this has not been fully investigated in an aqueous environment. To address this, hosts and guests that dynamically associate in water have been investigated to build aqueous self-healing materials. These association values were probed for various host/guest complexes using Simultaneous Multiple Sample Light Scattering (SMSLS), a technique that measures the size of aggregates via light scattering while varying concentration and other environmental factors. NSF EPSCoR IIA1430280.

Highly flexible transparent self-healing composite based on electrospun core-shell nanofibers produced by coaxial electrospinning for anti-corrosion and electrical insulation

NASA Astrophysics Data System (ADS)

An, Seongpil; Liou, Minho; Song, Kyo Yong; Jo, Hong Seok; Lee, Min Wook; Al-Deyab, Salem S.; Yarin, Alexander L.; Yoon, Sam S.

2015-10-01

Coaxial electrospinning was used to fabricate two types of core-shell fibers: the first type with liquid resin monomer in the core and polyacrylonitrile in the shell, and the second type with liquid curing agent in the core and polyacrylonitrile in the shell. These two types of core-shell fibers were mutually entangled and embedded into two flexible transparent matrices thus forming transparent flexible self-healing composite materials. Such materials could be formed before only using emulsion electrospinning, rather than coaxial electrospinning. The self-healing properties of such materials are associated with release of healing agents (resin monomer and cure) from nanofiber cores in damaged locations with the subsequent polymerization reaction filing the micro-crack with polydimethylsiloxane. Transparency of these materials is measured and the anti-corrosive protection provided by them is demonstrated in electrochemical experiments.

Development and characterization of self-healing carbon fabric/ionomer composite through stitched polymeric artificial muscle

NASA Astrophysics Data System (ADS)

Gabriel, Mark Joseph

Typical cracks in composite materials are hard to detect, because they may be very small or occur inside the material. This study investigates the development and characterization of carbon fiber and an ionomer, self-healing, laminate composite, enhanced with stitched artificial muscle elements. Although the carbon fiber is used as a structural reinforcement, the carbon fiber can also act as a resistive heating element in order to activate the healing elements in a Close-Then-Heal (CTH) approach. However in this study, hot air in an oven was used to activate the, SurlynRTM 8940, self-healing matrix. Artificial muscle was prepared from commercial fishing line to stitch reinforce the carbon laminate composite in the Z plane. Holes were drilled into the final composite and the muscle was stitched into the composite for active reinforcement. Differential scanning calorimetry was used to characterize the matrix and fishing line properties. The resulting smart composite was subjected to low velocity impact tests and consequential damage before healing in an oven, followed by three point bending flexure tests. Cracks in the carbon fiber reinforcement formed more easily than expected after impact because the holes were drilled to facilitate the muscle stitching. The matrix material could heal, but the reinforcement carbon could not. Several equipment issues and failures limited the amount of samples that could be created to continue testing with new parameters.

Self-assembled hydrogels utilizing polymer-nanoparticle interactions

NASA Astrophysics Data System (ADS)

Appel, Eric A.; Tibbitt, Mark W.; Webber, Matthew J.; Mattix, Bradley A.; Veiseh, Omid; Langer, Robert

2015-02-01

Mouldable hydrogels that flow on applied stress and rapidly self-heal are increasingly utilized as they afford minimally invasive delivery and conformal application. Here we report a new paradigm for the fabrication of self-assembled hydrogels with shear-thinning and self-healing properties employing rationally engineered polymer-nanoparticle (NP) interactions. Biopolymer derivatives are linked together by selective adsorption to NPs. The transient and reversible interactions between biopolymers and NPs enable flow under applied shear stress, followed by rapid self-healing when the stress is relaxed. We develop a physical description of polymer-NP gel formation that is utilized to design biocompatible gels for drug delivery. Owing to the hierarchical structure of the gel, both hydrophilic and hydrophobic drugs can be entrapped and delivered with differential release profiles, both in vitro and in vivo. The work introduces a facile and generalizable class of mouldable hydrogels amenable to a range of biomedical and industrial applications.

Fast Self-Healing of Polyelectrolyte Multilayer Nanocoating and Restoration of Super Oxygen Barrier.

PubMed

Song, Yixuan; Meyers, Kevin P; Gerringer, Joseph; Ramakrishnan, Ramesh K; Humood, Mohammad; Qin, Shuang; Polycarpou, Andreas A; Nazarenko, Sergei; Grunlan, Jaime C

2017-05-01

A self-healable gas barrier nanocoating, which is fabricated by alternate deposition of polyethyleneimine (PEI) and polyacrylic acid (PAA) polyelectrolytes, is demonstrated in this study. This multilayer film, with high elastic modulus, high glass transition temperature, and small free volume, has been shown to be a super oxygen gas barrier. An 8-bilayer PEI/PAA multilayer assembly (≈700 nm thick) exhibits an oxygen transmission rate (OTR) undetectable to commercial instrumentation (<0.005 cc (m -2 d -1 atm -1 )). The barrier property of PEI/PAA nanocoating is lost after a moderate amount of stretching due to its rigidity, which is then completely restored after high humidity exposure, therefore achieving a healing efficiency of 100%. The OTR of the multilayer nanocoating remains below the detection limit after ten stretching-healing cycles, which proves this healing process to be highly robust. The high oxygen barrier and self-healing behavior of this polymer multilayer nanocoating makes it ideal for packaging (food, electronics, and pharmaceutical) and gas separation applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Insights to regenerate materials: learning from nature

NASA Astrophysics Data System (ADS)

García-Aznar, J. M.; Valero, C.; Gómez-Benito, M. J.; Javierre, E.

2016-08-01

Self-healing materials, both biological and engineered, integrate the ability to repair themselves and recover their functionality using the resources inherently available to them. Although significant advances have been made, in recent years, for the design of different concepts of self-healing materials, this work aims to provide some insights into how living materials are able to regenerate or heal when a fracture or injury occurs. The main sensors that regulate this adaptive and regenerative behavior are the cells. These are able to sense the mechanical alterations in their surroundings and regulate their activity in order to remove dead tissue and/or create new tissue. Therefore, understanding how cells are able to regenerate tissues under complex and multiphysics conditions can define the biomimetics guidelines to heal through inert or traditional engineering materials. In this work, we present a combination of experiments and different kinds of multiscale and multiphysics models in order to understand how mechanics regulate some mechanisms at cell and tissue level. This combination of results aims to gain insight into the development of novel strategies for self-healing materials, mimicking the behavior induced by cells and biological tissues.

Dextran based herbal nanobiocomposite membranes for scar free wound healing.

PubMed

Singh, Surabhi; Gupta, Amlan; Sharma, Deepika; Gupta, Bhuvanesh

2018-07-01

Dextran based bionanocomposite membranes encapsulating clove oil (CO) and sandalwood oil (SO) that are capable of preventing infection due to their inherent virtue of antibacterial activity and modifying the wound healing cascade for accelerated scar free healing, were developed. A facile solvent casting technique was used to fabricate dextran/nanosoy/glycerol/chitosan (DNG/Ch) nanocomposite membranes followed by subsequent addition of CO and SO to obtain DNG/Ch/CO and DNG/Ch/SO herbal nanodressings. Dressings exhibited >98% antibacterial activity against both Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) at extremely low loadings of 5% and 10% for CO and SO, respectively. This encapsulation strategy allowed controlled diffusion of EO over a period of 72h which was measured in terms of drug efficacy using bacterial reduction count test and serial plate transfer disk diffusion test (SPTDDT). Swelling behavior and mechanical properties were also examined. Bacterial adherence study was performed to demonstrate the efficiency of dressings for arresting microbial invasion. In vivo wound healing studies were conducted using male swiss albino mice of BALB/c strain and DNG/Ch/CO dressings exhibited complete healing within 14days with remarkable efficacy in scar prevention. Histological analysis revealed that CO and SO treatment led to deposition of ordered collagen along with fibroblast migration. Copyright © 2018 Elsevier B.V. All rights reserved.

The effect of a combination of 0.1% octenidine dihydrochloride and 2% 2-phenoxyethanol (octenisept) on wound healing in pigs in vivo and its in vitro percutaneous permeation through intact and barrier disrupted porcine skin.

PubMed

Stahl, Jessica; Braun, Michael; Siebert, Joerg; Kietzmann, Manfred

2010-02-01

A combination of 0.1% octenidine dihydrochloride and 2% 2-phenoxyethanol (octenisept) is a commonly used disinfectant in human medicine. As porcine skin represents an adequate model for human skin, the effect of octenidine dihydrochloride and phenoxyethanol on wound healing is studied in pigs. Furthermore, the in vitro percutaneous permeation of the test substances is studied. The impact of the test formulations on wound healing is examined (A) under non occlusive conditions and (B) in comparison to another disinfectant based on povidone-iodine under occlusive conditions, while wounds are treated daily with the test substances. The percutaneous permeation of octenidine dihydrochloride and phenoxyethanol is studied in Franz-type diffusion cells with intact skin as well as barrier disrupted after tape stripping. Compared with povidone-iodine or vehicle treatment as well as untreated control wounds the treatment of wounds with the test formulation has no influence on the healing rate in pigs and does not induce retardation of wound healing. The in vitro diffusion experiment reveals that octenidine dihydrochloride is only detectable in the acceptor chamber of three-barrier disrupted skin samples. Phenoxyethanol permeates through intact porcine skin in amounts of 11.3% and through barrier disrupted skin in amounts of 43.9%

Polymer/Carbon Nanotube Networks for Smart, Self-Repairing and Light-Weighted Nanocomposites

DTIC Science & Technology

2012-11-05

was develop smart, strong, and light-weight polymer/carbon nanotube (CNT) composites which will sense tribologically induced damages and self-heal by...light-weight polymer/carbon nanotube (CNT) composites which will sense tribologically induced damages and self-heal by inhibiting such degradation...one of support references for EPSRC instrument grant application for Micro Materials NanoTest Vantage Testing Suite with NTX4Controller. The grant

Magnetic-Assisted, Self-Healable, Yarn-Based Supercapacitor.

PubMed

Huang, Yang; Huang, Yan; Zhu, Minshen; Meng, Wenjun; Pei, Zengxia; Liu, Chang; Hu, Hong; Zhi, Chunyi

2015-06-23

Yarn-based supercapacitors have received considerable attention recently, offering unprecedented opportunities for future wearable electronic devices (e.g., smart clothes). However, the reliability and lifespan of yarn-based supercapacitors can be seriously limited by accidental mechanical damage during practical applications. Therefore, a supercapacitor endowed with mechanically and electrically self-healing properties is a brilliant solution to the challenge. Compared with the conventional planar-like or large wire-like structure, the reconnection of the broken yarn electrode composed of multiple tiny fibers (diameter <20 μm) is much more difficult and challenging, which directly affects the restoration of electrical conductivity after damage. Herein, a self-healable yarn-based supercapacitor that ensures the reconnection of broken electrodes has been successfully developed by wrapping magnetic electrodes around a self-healing polymer shell. The strong force from magnetic attraction between the broken yarn electrodes benefits reconnection of fibers in the yarn electrodes during self-healing and thus offers an effective strategy for the restoration of electric conductivity, whereas the polymer shell recovers the configuration integrity and mechanical strength. With the design, the specific capacitance of our prototype can be restored up to 71.8% even after four breaking/healing cycles with great maintenance of the whole device's mechanical properties. This work may inspire the design and fabrication of other distinctive self-healable and wearable electronic devices.

Self-Healable Electrical Insulation for High Voltage Applications

NASA Technical Reports Server (NTRS)

Williams, Tiffany S.

2017-01-01

Polymeric aircraft electrical insulation normally degrades by partial discharge with increasing voltage, which causes excessive localized Joule heating in the material and ultimately leads to dielectric failure of the insulator through thermal breakdown. Developing self-healing insulation could be a viable option to mitigate permanent mechanical degradation, thus increasing the longevity of the insulation. Instead of relying on catalyst and monomer-filled microcapsules to crack, flow, and cure at the damaged sites described in well-published mechanisms, establishment of ionic crosslinks could allow for multiple healing events to occur with the added benefit of achieving full recovery strength under certain thermal environments. This could be possible if the operating temperature of the insulator is the same as or close to the temperature where ionic crosslinks are formed. Surlyn, a commercial material with ionic crosslinks, was investigated as a candidate self-healing insulator based off prior demonstrations of self-healing behavior. Thin films of varying thicknesses were investigated and the effects of thickness on the dielectric strength were evaluated and compared to representative polymer insulators. The effects of thermal conditioning on the recovery strength and healing were observed as a function of time following dielectric breakdown. Moisture absorption was also studied to determine if moisture absorption rates in Surlyn were lower than that of common polyimides.

Coarse-grained stochastic processes and kinetic Monte Carlo simulators for the diffusion of interacting particles

NASA Astrophysics Data System (ADS)

Katsoulakis, Markos A.; Vlachos, Dionisios G.

2003-11-01

We derive a hierarchy of successively coarse-grained stochastic processes and associated coarse-grained Monte Carlo (CGMC) algorithms directly from the microscopic processes as approximations in larger length scales for the case of diffusion of interacting particles on a lattice. This hierarchy of models spans length scales between microscopic and mesoscopic, satisfies a detailed balance, and gives self-consistent fluctuation mechanisms whose noise is asymptotically identical to the microscopic MC. Rigorous, detailed asymptotics justify and clarify these connections. Gradient continuous time microscopic MC and CGMC simulations are compared under far from equilibrium conditions to illustrate the validity of our theory and delineate the errors obtained by rigorous asymptotics. Information theory estimates are employed for the first time to provide rigorous error estimates between the solutions of microscopic MC and CGMC, describing the loss of information during the coarse-graining process. Simulations under periodic boundary conditions are used to verify the information theory error estimates. It is shown that coarse-graining in space leads also to coarse-graining in time by q2, where q is the level of coarse-graining, and overcomes in part the hydrodynamic slowdown. Operation counting and CGMC simulations demonstrate significant CPU savings in continuous time MC simulations that vary from q3 for short potentials to q4 for long potentials. Finally, connections of the new coarse-grained stochastic processes to stochastic mesoscopic and Cahn-Hilliard-Cook models are made.

Self-healing polymers---The importance of choosing an adequate healing monomer, and the olefin metathesis polymerization of agricultural oils

NASA Astrophysics Data System (ADS)

Mauldin, Timothy C.

Modern society's immense and ill-fated reliance on petrochemical-based polymeric materials will likely necessitate a shift in polymer production paradigms in the near future. The work presented herein attempts to address this issue via a two-pronged approach. First, efforts to improve the duration of composite materials by incorporation of a self-healing function are discussed, the fruitful application of which can potentially reduce or eliminate the massive carbon footprints associated with the repair/replacement of damaged materials. And second, polymeric materials derived predominately from natural and renewable feedstock---namely vegetable oils---are developed. Early microcapsule-based self-healing materials utilized dicyclopentadiene-filled microcapsules and Grubbs' olefin metathesis catalyst to initiate the healing mechanism. However, the patent-protected catalyst, made from the precious metal ruthenium and sometimes costly ligands, will likely never be inexpensive and therefore limit large-scale applications. Hence, clever approaches to reduce the healing catalyst loading in self-healing polymers are of great interest. To this end, our efforts have revolved around solving the problem of the relatively inefficient use of Grubbs' catalyst during the healing mechanism. Given that the mismatch of the olefin metathesis polymerization and Grubbs' catalyst dissolution (in monomer) kinetics is a known cause of this inefficient use of the catalyst, we attempted to tune the "latency" (i.e. pot life) of the olefin metathesis polymerization to ensure more complete dissolution of catalyst in monomer. In an alternative approach to improving efficient catalyst dissolution, we developed a simple model to predict relative dissolution rates of Grubbs' catalyst in a small library of healing monomers. This model was shown experimentally to be able to aid in the selection of, for example, reactive monomer additives that can yield impressive improvements in catalyst dissolution at small loadings. Furthermore, we have recently developed a novel rheokinetic technique designed to mimic the self-healing mechanism. This new analytical technique allows for collection of copious amounts of information related to the self-healing mechanism (e.g. healing kinetics, rheological and mechanical changes of polymerizing healing agents, adhesive interactions between healing agent and polymer matrix, etc.) to be extracted from a single experiment. New polymers derived from renewable feeds were synthesized via olefin metathesis polymerization techniques, which are ideally suited to react with the unactivated olefins (i.e. non-styrenic, non-acrylated, non-conjugated, etc.) prominent in most vegetable oils. Various vegetable oils were modified to contain norbornenyl functional groups via the high-pressure Diels-Alder addition of cyclopentadiene to their olefins to yield ROMP-reactive monomers. These monomers, polymerized in the presence of Grubbs' catalyst and the occasional comonomer, were able to yield highly crosslinked thermosets with ambient temperature storage moduli, glass transition temperatures and decomposition temperatures comparable to their currently-used, petrochemical-based counterparts. Other research thrusts in this area have focused on the development of renewable thermoplastic polymers. Vegetable oils were chemically modified to yield a series of alpha,o-dienes, from which polymers were formed via acyclic diene metathesis (ADMET). The resulting polymers were shown to have unique material properties, comparable to that of other biopolyesters (poly(lactic acid), poly(glycolides), poly(caprolactones), etc.) and common, petrochemical-derived polyesters.

Why the self is empty. Toward a historically situated psychology.

PubMed

Cushman, P

1990-05-01

This article presents a contextualized treatment of the current configuration of self, some of the pathologies that plague it, and the technologies that attempt to heal it. Of particular interest is the historical shift from the Victorian, sexually restricted self to the post-World War II empty self. The empty self is soothed and made cohesive by becoming "filled up" with food, consumer products, and celebrities. Its historical antecedents, economic constituents, and political consequences are the focus of this article. The two professions most responsible for healing the empty self, advertising and psychotherapy, find themselves in a bind: They must treat a psychological symptom without being able to address its historical causes. Both circumvent the bind by employing the life-style solution, a strategy that attempts to heal by covertly filling the empty self with the accoutrements, values, and mannerisms of idealized figures. This strategy solves an old problem but creates new ones, including an opportunity for abuse by exploitive therapists, cult leaders, and politicians. Psychology's role in constructing the empty self, and thus reproducing the current hierarchy of power and privilege, is examined.

Self-healing of the superhydrophobicity by ironing for the abrasion durable superhydrophobic cotton fabrics

PubMed Central

Wu, Jingxia; Li, Jingye; Deng, Bo; Jiang, Haiqing; Wang, Ziqiang; Yu, Ming; Li, Linfan; Xing, Chenyang; Li, Yongjin

2013-01-01

Self-healing of the superhydrophobic cotton fabric (SCF) obtained by the radiation-induced graft polymerization of lauryl methacrylate (LMA) and n-hexyl methacrylate (HMA), can be achieved by ironing. Through the steam ironing process, the superhydrophobicity of the SCFs will be regenerated even after the yarns are ruptured during the abrasion test under a load pressure of 44.8 kPa. SCFs made from LMA grafted cotton fabric can ultimately withstand at least 24,000 cycles of abrasion with periodic steam ironing. The FT-IR microscope results show that the migration of the polymethacrylates graft chains from the interior to the surface is responsible for the self-healing effect. PMID:24135813

The Importance of Electron Correlation on Stacking Interaction of Adenine-Thymine Base-Pair Step in B-DNA: A Quantum Monte Carlo Study.

PubMed

Hongo, Kenta; Cuong, Nguyen Thanh; Maezono, Ryo

2013-02-12

We report fixed-node diffusion Monte Carlo (DMC) calculations of stacking interaction energy between two adenine(A)-thymine(T) base pairs in B-DNA (AA:TT), for which reference data are available, obtained from a complete basis set estimate of CCSD(T) (coupled-cluster with singles, doubles, and perturbative triples). We consider four sets of nodal surfaces obtained from self-consistent field calculations and examine how the different nodal surfaces affect the DMC potential energy curves of the AA:TT molecule and the resulting stacking energies. We find that the DMC potential energy curves using the different nodes look similar to each other as a whole. We also benchmark the performance of various quantum chemistry methods, including Hartree-Fock (HF) theory, second-order Møller-Plesset perturbation theory (MP2), and density functional theory (DFT). The DMC and recently developed DFT results of the stacking energy reasonably agree with the reference, while the HF, MP2, and conventional DFT methods give unsatisfactory results.

Overcoming the Instability of Nanoparticle-Based Catalyst Films in Alkaline Electrolyzers by using Self-Assembling and Self-Healing Films.

PubMed

Barwe, Stefan; Masa, Justus; Andronescu, Corina; Mei, Bastian; Schuhmann, Wolfgang; Ventosa, Edgar

2017-07-10

Engineering stable electrodes using highly active catalyst nanopowders for electrochemical water splitting remains a challenge. We report an innovative and general approach for attaining highly stable catalyst films with self-healing capability based on the in situ self-assembly of catalyst particles during electrolysis. The catalyst particles are added to the electrolyte forming a suspension that is pumped through the electrolyzer. Particles with negatively charged surfaces stick onto the anode, while particles with positively charged surfaces stick to the cathode. The self-assembled catalyst films have self-healing properties as long as sufficient catalyst particles are present in the electrolyte. The proof-of-concept was demonstrated in a non-zero gap alkaline electrolyzer using NiFe-LDH and Ni x B catalyst nanopowders for anode and cathode, respectively. Steady cell voltages were maintained for at least three weeks during continuous electrolysis at 50-100 mA cm -2 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Infertility and Crisis: Self-Discovery and Healing through Poetry Writing.

ERIC Educational Resources Information Center

Barney, Anne

1992-01-01

Offers a personal narrative on how the author's own poetry helped her cope with the crisis of infertility, serving as a tool for self-discovery and healing. Suggests that specific advantages of poetry writing within the context of psychotherapy include problem solving; expression of feelings; insight; couple communication; and individual and…

A computational model for the flow of resin in self-healing composites

NASA Astrophysics Data System (ADS)

Hall, J.; Qamar, I. P. S.; Rendall, T. C. S.; Trask, R. S.

2015-03-01

To explore the flow characteristics of healing agent leaving a vascular network and infusing a damage site within a fibre reinforced polymer composite, a numerical model of healing agent flow from an orifice has been developed using smoothed particle hydrodynamics. As an initial validation the discharge coefficient for low Reynolds number flow from a cylindrical tank is calculated numerically, using two different viscosity formulations, and compared to existing experimental data. Results of this comparison are very favourable; the model is able to reproduce experimental results for the discharge coefficient in the high Reynolds number limit, together with the power-law behaviour for low Reynolds numbers. Results are also presented for a representative delamination geometry showing healing fluid behaviour and fraction filled inside the delamination for a variety of fluid viscosities. This work provides the foundations for the vascular self-healing community in calculating not only the flow rate through the network, but also, by simulating a representative damage site, the final location of the healing fluid within the damage site in order to assess the improvement in local and global mechanical properties and thus healing efficiency.

Autonomous stimulus triggered self-healing in smart structural composites

NASA Astrophysics Data System (ADS)

Norris, C. J.; White, J. A. P.; McCombe, G.; Chatterjee, P.; Bond, I. P.; Trask, R. S.

2012-09-01

Inspired by the ability of biological systems to sense and autonomously heal damage, this research has successfully demonstrated the first autonomous, stimulus triggered, self-healing system in a structural composite material. Both the sensing and healing mechanisms are reliant on microvascular channels incorporated within a laminated composite material. For the triggering mechanism, a single air filled vessel was pressurized, sealed and monitored. Upon drop weight impact (10 J), delamination and microcrack connectivity between the pressurized vessel and those open to ambient led to a pressure loss which, with the use of a suitable sensor, triggered a pump to deliver a healing agent to the damage zone. Using this autonomous healing approach, near full recovery of post-impact compression strength was achieved (94% on average). A simplified alternative system with healing agent continuously flowing through the vessels, akin to blood flow, was found to offer 100% recovery of the material’s virgin strength. Optical microscopy and ultrasonic C-scanning provided further evidence of large-scale infusion of matrix damage with the healing agent. The successful implementation of this bioinspired technology could substantially enhance the integrity and reliability of aerospace structures, whilst offering benefits through improved performance/weight ratios and extended lifetimes.

Room-temperature healing of a thermosetting polymer using the Diels-Alder reaction.

PubMed

Peterson, Amy M; Jensen, Robert E; Palmese, Giuseppe R

2010-04-01

Self-healing materials are particularly desirable for load-bearing applications because they offer the potential for increased safety and material lifetimes. A furan-functionalized polymer network was designed that can heal via covalent bonding across the crack surface with the use of a healing agent consisting of a bismaleimide in solution. Average healing efficiencies of approximately 70% were observed. The healing ability of fiber-reinforced composite specimens was investigated with flexural, short beam shear, and double cantilever beam specimens. It was found that solvent amount and maleimide concentration play key roles in determining healing efficiency.

Effect of graphene content on the restoration of mechanical, electrical and thermal functionalities of a self-healing natural rubber

NASA Astrophysics Data System (ADS)

Hernández, Marianella; Mar Bernal, M.; Grande, Antonio M.; Zhong, Nan; van der Zwaag, Sybrand; García, Santiago J.

2017-08-01

In the present work we show the effect of graphene loading on the restoration of the mechanical properties and thermal and electrical conductivity of a self-healing natural rubber nanocomposite. The graphene loading led to a minimal enhancement of mechanical properties and yielded a modest increase in thermal and electrical conduction. The polymer nanocomposites were macroscopically damaged (cut) and thermally healed for 7 h in a healing cell. Different healing trends as function of the graphene content were found for each of the functionalities: (i) thermal conductivity was fully restored independently of the graphene filler loading; (ii) electrical conductivity was only restored to a high degree above the percolation threshold; and (iii) tensile strength restoration increased more or less linearly with graphene content but was never complete. A dedicated molecular dynamics analysis by dielectric spectroscopy of the pristine and healed samples highlighted the role of graphene-polymer interactions at the healed interphase on the overall restoration of the different functionalities. Based on these results it is suggested that the dependence of the various healing efficiencies with graphene content is due to a combination of the graphene induced lower crosslinking density, as well as the presence of strong polymer-graphene interactions at the healed interphase.

Environmentally Friendly Coating Technology for Autonomous Corrosion Control

NASA Technical Reports Server (NTRS)

Calle, Luz M.; Li, Wenyan; Buhrow, Jerry W.; Johnsey, Marissa N.; Jolley, Scott T.; Pearman, Benjamin P.; Zhang, Xuejun; Fitzpatrick, Lilliana; Gillis, Mathew; Blanton, Michael;

Kinetic Monte Carlo Investigation of the Effects of Vacancy Pairing on Oxygen Diffusivity in Yttria-Stabilized Zirconia

NASA Technical Reports Server (NTRS)

Good, Brian S.

2011-01-01

Yttria-stabilized zirconia s high oxygen diffusivity and corresponding high ionic conductivity, and its structural stability over a broad range of temperatures, have made the material of interest for use in a number of applications, for example, as solid electrolytes in fuel cells. At low concentrations, the stabilizing yttria also serves to increase the oxygen diffusivity through the presence of corresponding oxygen vacancies, needed to maintain charge neutrality. At higher yttria concentration, however, diffusivity is impeded by the larger number of relatively high energy migration barriers associated with yttrium cations. In addition, there is evidence that oxygen vacancies preferentially occupy nearest-neighbor sites around either dopant or Zr cations, further affecting vacancy diffusion. We present the results of ab initio calculations that indicate that it is energetically favorable for oxygen vacancies to occupy nearest-neighbor sites adjacent to Y ions, and that the presence of vacancies near either species of cation lowers the migration barriers. Kinetic Monte Carlo results from simulations incorporating this effect are presented and compared with results from simulations in which the effect is not present.

The effect of filler parameters on the healing of thermal conductivity and mechanical properties of a thermal interface material based on a self-healable organic-inorganic polymer matrix

NASA Astrophysics Data System (ADS)

Zhong, Nan; Garcia, Santiago J.; van der Zwaag, Sybrand

2016-08-01

Thermal interface materials (TIMs) are widely used in all kinds of electronic devices to handle the heat dissipation and the mechanical anchoring of the heat producing component. The aging of TIMs may lead to delamination and internal crack formation causing a loss of heat transfer and mechanical integrity both leading to premature device failure. In the present work, a novel TIM system based on a self-healing organic-inorganic polymer matrix filled with spherical glass beads is presented which is capable of healing both the thermal conductivity and the mechanical properties upon thermal activation. The effect of particle volume concentration (PVC) and particle size on tensile strength and thermal conductivity healing behavior is investigated. The results show that a higher PVC increases the mechanical property but decreases mechanical healing. For the same PVC, bigger particles lead to lower mechanical properties but higher thermal conductivities and higher mechanical healing efficiencies.

Sealing of cracks in cement using microencapsulated sodium silicate

NASA Astrophysics Data System (ADS)

Giannaros, P.; Kanellopoulos, A.; Al-Tabbaa, A.

2016-08-01

Cement-based materials possess an inherent autogenous self-healing capability allowing them to seal, and potentially heal, microcracks. This can be improved through the addition of microencapsulated healing agents for autonomic self-healing. The fundamental principle of this self-healing mechanism is that when cracks propagate in the cementitious matrix, they rupture the dispersed capsules and their content (cargo material) is released into the crack volume. Various healing agents have been explored in the literature for their efficacy to recover mechanical and durability properties in cementitious materials. In these materials, the healing agents are most commonly encapsulated in macrocontainers (e.g. glass tubes or capsules) and placed into the material. In this work, microencapsulated sodium silicate in both liquid and solid form was added to cement specimens. Sodium silicate reacts with the calcium hydroxide in hydrated cement paste to form calcium-silicate-hydrate gel that fills cracks. The effect of microcapsule addition on rheological and mechanical properties of cement is reported. It is observed that the microcapsule addition inhibits compressive strength development in cement and this is observed through a plateau in strength between 28 and 56 days. The improvement in crack-sealing for microcapsule-containing specimens is quantified through sorptivity measurements over a 28 day healing period. After just seven days, the addition of 4% microcapsules resulted in a reduction in sorptivity of up to 45% when compared to specimens without any microcapsule addition. A qualitative description of the reaction between the cargo material and the cementitious matrix is also provided using x-ray diffraction analysis.

Molecular dynamics and Monte Carlo simulations resolve apparent diffusion rate differences for proteins confined in nanochannels

DOE PAGES

Tringe, J. W.; Ileri, N.; Levie, H. W.; ...

2015-08-01

We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in nanochannels, explaining four orders of magnitude difference in wheat germ agglutinin (WGA) protein diffusion rates observed by fluorescence correlation spectroscopy (FCS) and by direct imaging of fluorescently-labeled proteins. We first use the ESPResSo Molecular Dynamics code to estimate the surface transport distance for neutral and charged proteins. We then employ a Monte Carlo model to calculate the paths of protein molecules on surfaces and in the bulk liquid transport medium. Our results show that the transport characteristics depend strongly on the degree of molecular surface coverage.more » Atomic force microscope characterization of surfaces exposed to WGA proteins for 1000 s show large protein aggregates consistent with the predicted coverage. These calculations and experiments provide useful insight into the details of molecular motion in confined geometries.« less

Auxiliary field diffusion Monte Carlo calculations of light and medium-mass nuclei with local chiral interactions

NASA Astrophysics Data System (ADS)

Lonardoni, D.; Gandolfi, S.; Lynn, J. E.; Petrie, C.; Carlson, J.; Schmidt, K. E.; Schwenk, A.

2018-04-01

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective-field-theory interactions. In this work, we present a detailed description of the auxiliary field diffusion Monte Carlo algorithm for nuclei in combination with local chiral two- and three-nucleon interactions up to next-to-next-to-leading order. We show results for the binding energy, charge radius, charge form factor, and Coulomb sum rule in nuclei with 3 ≤A ≤16 . Particular attention is devoted to the effect of different operator structures in the three-body force for different cutoffs. The outcomes suggest that local chiral interactions fit to few-body observables give a very good description of the ground-state properties of nuclei up to 16O, with the exception of one fit for the softer cutoff which predicts overbinding in larger nuclei.

Application of the three-component bidirectional reflectance distribution function model to Monte Carlo calculation of spectral effective emissivities of nonisothermal blackbody cavities.

PubMed

Prokhorov, Alexander; Prokhorova, Nina I

2012-11-20

We applied the bidirectional reflectance distribution function (BRDF) model consisting of diffuse, quasi-specular, and glossy components to the Monte Carlo modeling of spectral effective emissivities for nonisothermal cavities. A method for extension of a monochromatic three-component (3C) BRDF model to a continuous spectral range is proposed. The initial data for this method are the BRDFs measured in the plane of incidence at a single wavelength and several incidence angles and directional-hemispherical reflectance measured at one incidence angle within a finite spectral range. We proposed the Monte Carlo algorithm for calculation of spectral effective emissivities for nonisothermal cavities whose internal surface is described by the wavelength-dependent 3C BRDF model. The results obtained for a cylindroconical nonisothermal cavity are discussed and compared with results obtained using the conventional specular-diffuse model.

Acrylate-endcapped polymer precursors: effect of chemical composition on the healing efficiency of active concrete cracks

NASA Astrophysics Data System (ADS)

Araújo, Maria; Van Tittelboom, Kim; Dubruel, Peter; Van Vlierberghe, Sandra; De Belie, Nele

2017-05-01

The repair of cracks in concrete is an unavoidable practice since these cracks endanger the durability of the structure. Inspired by nature, the self-healing concept has been widely investigated in concrete as a promising solution to solve the limitations of manual repair. This self-healing functionality may be realized by the incorporation of encapsulated healing agents in concrete. Depending on the nature of the cracks, different healing agents can be used. For structures subjected to repeated loads, elastic materials should be considered to cope with the crack opening and closing movement. In this study, various acrylate-endcapped polymer precursors were investigated for their suitability to heal active cracks. The strain capacity of the polymers was assessed by means of visual observation together with water flow tests after widening of the healed cracks in a stepwise manner. A strain of at least 50% could be sustained by epoxy- and siloxane-based healing agents. For polyester- and urethane/poly(propylene glycol)-based precursors, failure occurred at 50% elongation due to detachment of the polymer from the crack walls. However, for urethane/poly(propylene glycol)-based healing agent, debonding was limited to some local spots. The resistance of the polymerized healing agents against degradation in the strong alkaline environment characteristic for concrete has also been evaluated, with the urethane/poly(propylene glycol)-based precursor showing the best performance to withstand degradation.

An empirical approach to estimate near-infra-red photon propagation and optically induced drug release in brain tissues

NASA Astrophysics Data System (ADS)

Prabhu Verleker, Akshay; Fang, Qianqian; Choi, Mi-Ran; Clare, Susan; Stantz, Keith M.

2015-03-01

The purpose of this study is to develop an alternate empirical approach to estimate near-infra-red (NIR) photon propagation and quantify optically induced drug release in brain metastasis, without relying on computationally expensive Monte Carlo techniques (gold standard). Targeted drug delivery with optically induced drug release is a noninvasive means to treat cancers and metastasis. This study is part of a larger project to treat brain metastasis by delivering lapatinib-drug-nanocomplexes and activating NIR-induced drug release. The empirical model was developed using a weighted approach to estimate photon scattering in tissues and calibrated using a GPU based 3D Monte Carlo. The empirical model was developed and tested against Monte Carlo in optical brain phantoms for pencil beams (width 1mm) and broad beams (width 10mm). The empirical algorithm was tested against the Monte Carlo for different albedos along with diffusion equation and in simulated brain phantoms resembling white-matter (μs'=8.25mm-1, μa=0.005mm-1) and gray-matter (μs'=2.45mm-1, μa=0.035mm-1) at wavelength 800nm. The goodness of fit between the two models was determined using coefficient of determination (R-squared analysis). Preliminary results show the Empirical algorithm matches Monte Carlo simulated fluence over a wide range of albedo (0.7 to 0.99), while the diffusion equation fails for lower albedo. The photon fluence generated by empirical code matched the Monte Carlo in homogeneous phantoms (R2=0.99). While GPU based Monte Carlo achieved 300X acceleration compared to earlier CPU based models, the empirical code is 700X faster than the Monte Carlo for a typical super-Gaussian laser beam.

New Monte Carlo model of cylindrical diffusing fibers illustrates axially heterogeneous fluorescence detection: simulation and experimental validation

PubMed Central

Baran, Timothy M.; Foster, Thomas H.

2011-01-01

We present a new Monte Carlo model of cylindrical diffusing fibers that is implemented with a graphics processing unit. Unlike previously published models that approximate the diffuser as a linear array of point sources, this model is based on the construction of these fibers. This allows for accurate determination of fluence distributions and modeling of fluorescence generation and collection. We demonstrate that our model generates fluence profiles similar to a linear array of point sources, but reveals axially heterogeneous fluorescence detection. With axially homogeneous excitation fluence, approximately 90% of detected fluorescence is collected by the proximal third of the diffuser for μs'/μa = 8 in the tissue and 70 to 88% is collected in this region for μs'/μa = 80. Increased fluorescence detection by the distal end of the diffuser relative to the center section is also demonstrated. Validation of these results was performed by creating phantoms consisting of layered fluorescent regions. Diffusers were inserted into these layered phantoms and fluorescence spectra were collected. Fits to these spectra show quantitative agreement between simulated fluorescence collection sensitivities and experimental results. These results will be applicable to the use of diffusers as detectors for dosimetry in interstitial photodynamic therapy. PMID:21895311

Hybrid transport and diffusion modeling using electron thermal transport Monte Carlo SNB in DRACO

NASA Astrophysics Data System (ADS)

Chenhall, Jeffrey; Moses, Gregory

2017-10-01

The iSNB (implicit Schurtz Nicolai Busquet) multigroup diffusion electron thermal transport method is adapted into an Electron Thermal Transport Monte Carlo (ETTMC) transport method to better model angular and long mean free path non-local effects. Previously, the ETTMC model had been implemented in the 2D DRACO multiphysics code and found to produce consistent results with the iSNB method. Current work is focused on a hybridization of the computationally slower but higher fidelity ETTMC transport method with the computationally faster iSNB diffusion method in order to maximize computational efficiency. Furthermore, effects on the energy distribution of the heat flux divergence are studied. Work to date on the hybrid method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles

NASA Astrophysics Data System (ADS)

Hauser, Andreas W.; Schnedlitz, Martin; Ernst, Wolfgang E.

2017-06-01

A kinetic Monte Carlo approach on a coarse-grained lattice is developed for the simulation of surface diffusion processes of Ni, Pd and Au structures with diameters in the range of a few nanometers. Intensity information obtained via standard two-dimensional transmission electron microscopy imaging techniques is used to create three-dimensional structure models as input for a cellular automaton. A series of update rules based on reaction kinetics is defined to allow for a stepwise evolution in time with the aim to simulate surface diffusion phenomena such as Rayleigh breakup and surface wetting. The material flow, in our case represented by the hopping of discrete portions of metal on a given grid, is driven by the attempt to minimize the surface energy, which can be achieved by maximizing the number of filled neighbor cells.

The use of solid-state reactions with volume loss to engineer stress and porosity into the fiber-matrix interface of a ceramic composite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hay, R.S.

The effect of the 11 vol% losing during reaction of yttrium-aluminas garnet (YAG) and zirconia was observed in zirconia coated single-crystal alumina fiber-YAG matrix composites. The reaction caused plastic deformation in the alumina fibers, and possibly a minor amount of porosity at fiber-matrix interfaces that was usually indistinguishable from matrix porosity. The results were analyzed by models for diffusive cavitation modified to use reaction self-stress. Crack-healing, tensile stress states along the reaction front that approach plane stress, and the small volume of self-stressed material make crack-like pores unlikely at the high temperatures required for reaction. Smaller matrix grains might promotemore » formation of smaller cavities but are also incompatible with high temperature. Both modeling and experiment suggest that sufficient porosity for crack deflection and fiber pullout cannot form unless processing methods that form dense composites at lower temperatures are used.« less

Fatigue of Self-Healing Nanofiber-based Composites: Static Test and Subcritical Crack Propagation.

PubMed

Lee, Min Wook; Sett, Soumyadip; Yoon, Sam S; Yarin, Alexander L

2016-07-20

Here, we studied the self-healing of composite materials filled with epoxy-containing nanofibers. An initial incision in the middle of a composite sample stretched in a static fatigue test can result in either crack propagation or healing. In this study, crack evolution was observed in real time. A binary epoxy, which acted as a self-healing agent, was encapsulated in two separate types of interwoven nano/microfibers formed by dual-solution blowing, with the core containing either epoxy or hardener and the shell being formed from poly(vinylidene fluoride)/ poly(ethylene oxide) mixture. The core-shell fibers were encased in a poly(dimethylsiloxane) matrix. When the fibers were damaged by a growing crack in this fiber-reinforced composite material because of static stretching in the fatigue test, they broke and released the healing agent into the crack area. The epoxy used in this study was cured and solidified for approximately an hour at room temperature, which then conglutinated and healed the damaged location. The observations were made for at least several hours and in some cases up to several days. It was revealed that the presence of the healing agent (the epoxy) in the fibers successfully prevented the propagation of cracks in stretched samples subjected to the fatigue test. A theoretical analysis of subcritical cracks was performed, and it revealed a jumplike growth of subcritical cracks, which was in qualitative agreement with the experimental results.

Effective emissivities of isothermal blackbody cavities calculated by the Monte Carlo method using the three-component bidirectional reflectance distribution function model.

PubMed

Prokhorov, Alexander

2012-05-01

This paper proposes a three-component bidirectional reflectance distribution function (3C BRDF) model consisting of diffuse, quasi-specular, and glossy components for calculation of effective emissivities of blackbody cavities and then investigates the properties of the new reflection model. The particle swarm optimization method is applied for fitting a 3C BRDF model to measured BRDFs. The model is incorporated into the Monte Carlo ray-tracing algorithm for isothermal cavities. Finally, the paper compares the results obtained using the 3C model and the conventional specular-diffuse model of reflection.

An investigation of light transport through scattering bodies with non-scattering regions.

PubMed

Firbank, M; Arridge, S R; Schweiger, M; Delpy, D T

1996-04-01

Near-infra-red (NIR) spectroscopy is increasingly being used for monitoring cerebral oxygenation and haemodynamics. One current concern is the effect of the clear cerebrospinal fluid upon the distribution of light in the head. There are difficulties in modelling clear layers in scattering systems. The Monte Carlo model should handle clear regions accurately, but is too slow to be used for realistic geometries. The diffusion equation can be solved quickly for realistic geometries, but is only valid in scattering regions. In this paper we describe experiments carried out on a solid slab phantom to investigate the effect of clear regions. The experimental results were compared with the different models of light propagation. We found that the presence of a clear layer had a significant effect upon the light distribution, which was modelled correctly by Monte Carlo techniques, but not by diffusion theory. A novel approach to calculating the light transport was developed, using diffusion theory to analyze the scattering regions combined with a radiosity approach to analyze the propagation through the clear region. Results from this approach were found to agree with both the Monte Carlo and experimental data.

Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christensen, H. M.; Jake, L. C.; Curotto, E., E-mail: curotto@arcadia.edu

2016-05-07

In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n–dipoles clusters in themore » n = 8–20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.« less

NPS Field Experimentation Program For Special Operations (FEPSO) TNT 13-2 Report

DTIC Science & Technology

2013-04-01

self -­‐form   and   self -­‐ heal  with  without   operator   intervention.   Trends  in  current  tactical...layer   two   self -­‐forming-­‐ self   healing  peer-­‐to-­‐peer   topologies.  In  this  later  group,  we  see  emerging  mesh...the   shock.   The   electrically   insulative   sub-­‐layer,   made   of   rubber   or

Monte Carlo simulations of coupled diffusion and surface reactions during the aqueous corrosion of borosilicate glasses

DOE PAGES

Kerisit, Sebastien; Pierce, Eric M.; Ryan, Joseph V.

2014-09-19

Borosilicate nuclear waste glasses develop complex altered layers as a result of coupled processes such as hydrolysis of network species, condensation of Si species, and diffusion. However, diffusion has often been overlooked in Monte Carlo models of the aqueous corrosion of borosilicate glasses. Therefore, in this paper three different models for dissolved Si diffusion in the altered layer were implemented in a Monte Carlo model and evaluated for glasses in the compositional range (75 - x) mol% SiO 2 (12.5 + x/2) mol% B 2O 3 and (12.5 + x/2) mol% Na 2O, where 0 ≤ x ≤ 20%, andmore » corroded in static conditions at a surface-area-to-volume ratio of 1000 m -1. The three models considered instantaneous homogenization (M1), linear concentration gradients (M2), and concentration profiles determined by solving Fick's 2nd law using a finite difference method (M3). Model M3 revealed that concentration profiles in the altered layer are not linear and show changes in shape and magnitude as corrosion progresses, unlike those assumed in model M2. Furthermore, model M3 showed that, for borosilicate glasses with a high forward dissolution rate compared to the diffusion rate, the gradual polymerization and densification of the altered layer is significantly delayed compared to models M1 and M2. Finally, models M1 and M2 were found to be appropriate models only for glasses with high release rates such as simple borosilicate glasses with low ZrO 2 content.« less

Ultrafast Self-Healing Nanocomposites via Infrared Laser and Their Application in Flexible Electronics.

PubMed

Wu, Shuwen; Li, Jinhui; Zhang, Guoping; Yao, Yimin; Li, Gang; Sun, Rong; Wong, Chingping

2017-01-25

The continuous evolution toward flexible electronics with mechanical robust property and restoring structure simultaneously places high demand on a set of polymeric material substrate. Herein, we describe a composite material composed of a polyurethane based on Diels-Alder chemistry (PU-DA) covalently linked with functionalized graphene nanosheets (FGNS), which shows mechanical robust and infrared (IR) laser self-healing properties at ambient conditions and is therefore suitable for flexible substrate applications. The mechanical strength can be tuned by varying the amount of FGNS and breaking strength can reach as high as 36 MPa with only 0.5 wt % FGNS loading. On rupture, the initial mechanical properties are restored with more than 96% healing efficiency after 1 min irradiation time by 980 nm IR laser. Especially, this is the highest value of healing efficiency reported in the self-healable materials based on DA chemistry systems until now, and the composite exhibits a high volume resistivity up to 5.6 × 10 11 Ω·cm even the loading of FGNS increased to 1.0 wt %. Moreover, the conductivity of the broken electric circuit which was fabricated by silver paste drop-cast on the healable composite substrate was completely recovered via IR laser irradiating bottom substrate mimicking human skin. These results demonstrate that the FGNS-PU-DA nanocomposite can be used as self-healing flexible substrate for the next generation of intelligent flexible electronics.

Dynamically Cross-linked Elastomer Hybrids with Light-Induced Rapid and Efficient Self-Healing Ability and Reprogrammable Shape Memory Behavior.

PubMed

Bai, Jing; Shi, Zixing

2017-08-16

Pristine carbon nanotubes (CNTs) were activated to exhibit Diels-Alder (DA) reactivity in a polymer matrix, which was modified with monomers containing furan groups. The DA-active polymer matrix was transferred into a dynamic reversible cross-linked inorganic-organic network via a Diels-Alder reaction with CNTs, where pristine CNTs were used as dienophile chemicals and furan-modified SBS acted as the macromolecular diene. In this system, the mechanical properties as well as resilience and solvent resistance were greatly improved even with the presence of only 1 wt % CNTs. Meanwhile, the hybrids retained recyclability and exhibited some smart behaviors, including self-healing and reprogrammable shape memory properties. Furthermore, due to the photothermal effect of CNTs, a retro-Diels-Alder (rDA) reaction was activated under laser irradiation, and healing of a crack on the hybrid surface was demonstrated in approximately 10 s with almost complete recovery of the mechanical properties. Such fast and efficient self-healing performance provides a new concept in designing self-healing nanocomposites with tunable structures and mechanical properties. Furthermore, the DA and rDA reactions could be combined to reprogram the shape memory behavior under laser irradiation or thermal treatment, wherein the temporary shape of the sample could be transferred to a permanent shape via the rDA reaction at high temperature.