Academic literature on the topic 'Dynamic covalent bond'

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Journal articles on the topic "Dynamic covalent bond"

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Zheng, Shuyuan, and Guofeng Liu. "Polymeric Emissive Materials Based on Dynamic Covalent Bonds." Molecules 27, no. 19 (2022): 6635. http://dx.doi.org/10.3390/molecules27196635.

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Dynamic covalent polymers, composed of dynamic covalent bonds (DCBs), have received increasing attention in the last decade due to their adaptive and reversible nature compared with common covalent linked polymers. Incorporating the DCBs into the polymeric material endows it with advanced performance including self-healing, shape memory property, and so forth. However, the emissive ability of such dynamic covalent polymeric materials has been rarely reviewed. Herein, this review has summarized DCBs-based emissive polymeric materials which are classified according to the different types of DCBs
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Lascano, Santiago, Kang-Da Zhang, Robin Wehlauch, Karl Gademann, Naomi Sakai, and Stefan Matile. "The third orthogonal dynamic covalent bond." Chemical Science 7, no. 7 (2016): 4720–24. http://dx.doi.org/10.1039/c6sc01133k.

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Bracchi, Michael E., and David A. Fulton. "Orthogonal breaking and forming of dynamic covalent imine and disulfide bonds in aqueous solution." Chemical Communications 51, no. 55 (2015): 11052–55. http://dx.doi.org/10.1039/c5cc02716k.

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Roh, Sojeong, Yeonjeong Nam, My Thi Ngoc Nguyen, Jae-Hee Han, and Jun Seop Lee. "Dynamic Covalent Bond-Based Polymer Chains Operating Reversibly with Temperature Changes." Molecules 29, no. 14 (2024): 3261. http://dx.doi.org/10.3390/molecules29143261.

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Dynamic bonds can facilitate reversible formation and dissociation of connections in response to external stimuli, endowing materials with shape memory and self-healing capabilities. Temperature is an external stimulus that can be easily controlled through heat. Dynamic covalent bonds in response to temperature can reversibly connect, exchange, and convert chains in the polymer. In this review, we introduce dynamic covalent bonds that operate without catalysts in various temperature ranges. The basic bonding mechanism and the kinetics are examined to understand dynamic covalent chemistry rever
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Zhao, Jingwen, Louis Debertrand, Tetsuharu Narita, and Costantino Creton. "Fracture of dual crosslink gels with permanent and transient crosslinks: Effect of the relaxation time of the transient crosslinks." Journal of Rheology 66, no. 6 (2022): 1255–66. http://dx.doi.org/10.1122/8.0000460.

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We investigate the fracture properties of poly(acrylamide- co-1-vinylimidazole) dual crosslink hydrogels [P(AAm- co-VIm)-M2+ gels] containing a small fraction of covalent bonds and a majority of dynamic bonds based on metal coordination bonds (Ni2+ or Zn2+). Unlike a previous study on a different dual crosslink hydrogel system having slower dynamic bonds based on poly(vinylalcohol) and borate ions (PVA-Borax gels), the presence of these faster dynamic coordination bonds has two main effects: They significantly toughen the P(AAm- co-VIm)-M2+ gels even at high stretch rates, where the dynamic bo
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Heinen, Laura, and Andreas Walther. "Programmable dynamic steady states in ATP-driven nonequilibrium DNA systems." Science Advances 5, no. 7 (2019): eaaw0590. http://dx.doi.org/10.1126/sciadv.aaw0590.

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Inspired by the dynamics of the dissipative self-assembly of microtubules, chemically fueled synthetic systems with transient lifetimes are emerging for nonequilibrium materials design. However, realizing programmable or even adaptive structural dynamics has proven challenging because it requires synchronization of energy uptake and dissipation events within true steady states, which remains difficult to orthogonally control in supramolecular systems. Here, we demonstrate full synchronization of both events by ATP-fueled activation and dynamization of covalent DNA bonds via an enzymatic reacti
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Liu, Shengda, Shengchao Deng, Tengfei Yan, et al. "Biocompatible Diselenide-Containing Protein Hydrogels with Effective Visible-Light-Initiated Self-Healing Properties." Polymers 13, no. 24 (2021): 4360. http://dx.doi.org/10.3390/polym13244360.

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Smart hydrogels are typical functional soft materials, but their functional and mechanical properties are compromised upon micro- or macro-mechanical damage. In contrast, hydrogels with self-healing properties overcome this limitation. Herein, a dual dynamic bind, cross-linked, self-healing protein hydrogel is prepared, based on Schiff base bonds and diselenide bonds. The Schiff base bond is a typical dynamic covalent bond and the diselenide bond is an emerging dynamic covalent bond with a visible light response, which gives the resulting hydrogel a dual response in visible light and a desirab
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CHINO, Keisuke. "Multi-network Systems Including Dynamic and Static Covalent Bonds “Coexistence between Thermoplasticity and Creep Resistance” 3 Ionic Bond・Dynamic Covalent Bond." NIPPON GOMU KYOKAISHI 97, no. 5 (2024): 125–30. http://dx.doi.org/10.2324/gomu.97.125.

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Sotoyama, Yu, Naoto Iwata, and Seiichi Furumi. "Covalent Adaptable Networks from Polyacrylates Based on Oxime–Urethane Bond Exchange Reaction." International Journal of Molecular Sciences 25, no. 23 (2024): 12897. https://doi.org/10.3390/ijms252312897.

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Covalent adaptable networks (CANs) are polymer networks cross-linked via dynamic covalent bonds that can proceed with bond exchange reactions upon applying external stimuli. In this report, a series of cross-linked polyacrylate films were fabricated by changing the combination of acrylate monomer and the amount of diacrylate cross-linker possessing oxime–urethane bonds as a kind of dynamic covalent bond to evaluate their rheological relaxation properties. Model analysis of the experimental relaxation curves of cross-linked polyacrylate films was conducted by assuming that they consist of two t
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Dunn, Megan F., Tao Wei, Ronald N. Zuckermann, and Timothy F. Scott. "Aqueous dynamic covalent assembly of molecular ladders and grids bearing boronate ester rungs." Polymer Chemistry 10, no. 18 (2019): 2337–43. http://dx.doi.org/10.1039/c8py01705k.

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Mimicking the self-assembly of nucleic acid sequences into double-stranded molecular ladders that incorporate hydrogen bond-based rungs, dynamic covalent interactions enable the fabrication of molecular ladder and grid structures with covalent bond-based rungs.
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Dissertations / Theses on the topic "Dynamic covalent bond"

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Garavini, Valentina. "Native chemical ligation for the design of dynamic covalent peptides." Thesis, Strasbourg, 2015. http://www.theses.fr/2015STRAF053/document.

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Utiliser la liaison peptidique dans des systèmes dynamiques covalents est très difficile en raison de sa stabilité intrinsèque. Dans ce travail, une nouvelle méthodologie pour échanger fragments peptidiques dans des conditions biocompatibles est décrite. Légères modifications du groupe amine d'un résidu de cystéine en peptides modèle permettent l'activation spécifique de cette jonction peptidique pour des réactions d'échange covalent. Grâce à un mécanisme de ligation chimique native réversible, fragments peptidiques sont échangés en solution aqueuse à pH physiologique et en présence de dithiot
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Zanirati, Stefano. "Synthesis and nanostructuring modulations of self-assembled dynamic covalent amphiphiles." Thesis, Strasbourg, 2013. http://www.theses.fr/2013STRAF039.

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Contrôler les forces supramoléculaires et chirales a toujours été un défi pour la communauté scientifique. Dynablocks sont amphiphile basés sur des liaisons covalentes réversibles (imine) qui, dans l’eau, s’auto–assemblent en mésophases. Avec un nouveaux aldéhydes chargés et avec divers types d'amines (pKa et chaînes de PEG variables) dynablocks chargées ont été utilisés pour ajuster les surfaces micellaires (inversion noyau/coquille). Nous avons également étudié les propriétésd'auto-réplication (autopoiesis) et leur intérêt pour les premiers réplicateurs de la Terre prébiotique. Dynablocks no
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Lutz, Eric. "Dynamic covalent surfactants for the controlled release of bioactive volatiles." Thesis, Strasbourg, 2014. http://www.theses.fr/2014STRAF041/document.

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Ce projet consiste à fabriquer et à étudier des micelles à la fois biocompatibles et capables de relarguer des molécules volatiles bioactives à partir d’une solution aqueuse sous l’influence de stimuli extérieurs tel que le pH, la température ou la concentration. Pour atteindre ce but, nous avons étudiés un nouveau type d’objets micellaires qui sont formés par l’auto-assemblage d’amphiphiles covalents dynamiques (DCAs), des surfactants peu onéreux formés de l’association moléculaire réversible d’un bloc hydrophile et d’un bloc hydrophobe. Ces systèmes peuvent relarger une large gamme de fragra
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Beaugendre, Maxime. "Etude et développement de latex vitrimères obtenus par PISA." Electronic Thesis or Diss., Université Paris sciences et lettres, 2023. http://www.theses.fr/2023UPSLS003.

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La chimie covalente dynamique est un outil efficace pour développer des matériaux polymères qui répondent aux enjeux écologiques actuels (recyclabilité, réparabilité). Nous avons implémenté la liaison imine dans des films de latex synthétisés selon les concepts PISA (Polymerization-Induced Self-Assembly). Les particules de latex sont constituées d’une écorce hydrophile de PMAA et d’un cœur hydrophobe de MMA, BA et d’un monomère porteur d’une fonction pendante benzaldéhyde (B). La réticulation imine des latex est réalisée à l’étape de séchage par ajout d’une diamine. L’étude de ces films montre
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Lewandowska, Urszula. "Spontaneous small molecule migration via reversible Michael reactions." Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/10635.

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Small molecule walkers developed to date take advantage of the reversibility of dynamic covalent bond formation to transport molecular fragments along molecular tracks using both diffusion processes and ratchet mechanisms. However, external intervention (the addition of chemical reagents and/or irradiation with light) is required to mediate each step taken by the walker unit in systems reported so far. In this Thesis, the first synthetic small molecule able to walk back-and-forth upon an oligoethylenimine track without external intervention via intramolecular Michael and retro- Michael reactio
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Engelhart, Aaron Edward. "Nucleic acid assembly, polymerization, and ligand binding." Diss., Georgia Institute of Technology, 2012. http://hdl.handle.net/1853/45979.

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In the past 30 years, the discovery of capabilities of nucleic acids far beyond their well-known information-bearing capacity has profoundly influenced our understanding of these polymers. The discovery by the Cech and Altman labs that nucleic acids could perform catalytic functions, coupled with the Gold and Szostak groups’ demonstration of the de novo evolution of nucleic acids that bind arbitrary ligands, has resulted in a proliferation of newfound roles for these molecules. Nucleic acids have found utility in both engineered systems, such as aptamer therapeutics, as well as in newly apprec
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Hammer, Larissa. "Design and Characterization of Double Dynamic Networks Based on Boronic Ester and Imine Dynamic Covalent Bonds." Electronic Thesis or Diss., Université Paris sciences et lettres, 2021. http://www.theses.fr/2021UPSLS077.

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Les réseaux dynamiques doubles (RDD) sont des matériaux polymères qui combinent deux agents de réticulation distincts (ou plus) dans un seul système. En couplant différentes stratégies de réticulation, des matériaux sur mesure peuvent être conçus. Cette thèse explore la mise en œuvre du concept de vitrimère dans les RDD. Des élastomères vitrimères constitués de deux réseaux dynamiques interpénétrés reposant respectivement sur la métathèse des esters boroniques et sur l’échange imine-aldéhyde ont été conçus dans ce but. Les deux réactions procèdent selon un mécanisme dégénéré et sont orthogonal
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Roettger, Max. "Associative exchange reactions of boron or nitrogen containing bonds and design of vitrimers." Thesis, Paris 6, 2016. http://www.theses.fr/2016PA066608/document.

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Dans l'optique de préparer des vitrimères à partir des thermoplastiques communément utilisés, tels le PMMA et le PS, des réactions d'échange dynamiques reposant les liens imine et esters boroniques ont été étudiées. Des paramètres importants comme la constante de dissociation de certaines molécules, la constante de vitesse et l'énergie d'activation ont été mesurées. Des monomères porteurs de liaisons échangeables ont été synthétisés et polymérisés. Des vitrimères, avec des liaisons C-C dans la chaine principale, ont été créés par différentes stratégies (PMMA et PS). Ces matériaux sont réticulé
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Bracchi, Michael Edward. "Exploring the orthogonal dynamic covalent imine and disulfide bonds in polymer systems." Thesis, University of Newcastle upon Tyne, 2017. http://hdl.handle.net/10443/3989.

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In the field of supramolecular systems chemistry the desire of researchers to endow functional macromolecular systems with orthogonal stimuli-responsiveness has fueled interest in the incorporation of multiple orthogonal dynamic covalent chemistries within a single chemical system. Dynamic covalent chemistry involves reversible bond forming processes which can be harnessed in the development of dynamic supramolecular systems providing a mechanism for structural reconfiguration of system components in response to external stimuli. Despite the inspiring gamut of recently brandished studies, ther
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Roettger, Max. "Associative exchange reactions of boron or nitrogen containing bonds and design of vitrimers." Electronic Thesis or Diss., Paris 6, 2016. https://accesdistant.sorbonne-universite.fr/login?url=https://theses-intra.sorbonne-universite.fr/2016PA066608.pdf.

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Dans l'optique de préparer des vitrimères à partir des thermoplastiques communément utilisés, tels le PMMA et le PS, des réactions d'échange dynamiques reposant les liens imine et esters boroniques ont été étudiées. Des paramètres importants comme la constante de dissociation de certaines molécules, la constante de vitesse et l'énergie d'activation ont été mesurées. Des monomères porteurs de liaisons échangeables ont été synthétisés et polymérisés. Des vitrimères, avec des liaisons C-C dans la chaine principale, ont été créés par différentes stratégies (PMMA et PS). Ces matériaux sont réticulé
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Books on the topic "Dynamic covalent bond"

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Zhang, Wei, and Yinghua Jin. Dynamic Covalent Chemistry: Principles, Reactions, and Applications. Wiley & Sons, Incorporated, John, 2017.

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Zhang, Wei, and Yinghua Jin. Dynamic Covalent Chemistry: Principles, Reactions, and Applications. Wiley & Sons, Limited, John, 2017.

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Zhang, Wei, and Yinghua Jin. Dynamic Covalent Chemistry: Principles, Reactions, and Applications. Wiley & Sons, Incorporated, John, 2017.

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Dynamic Covalent Chemistry: Principles, Reactions, and Applications. Wiley & Sons, Limited, John, 2017.

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Book chapters on the topic "Dynamic covalent bond"

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Wang, Guoshuai, Guancheng Jiang, Jun Yang, Yinbo He, and Yue Fu. "Synthesis of a Novel pH-Responsive Emulsifier Based on Dynamic Covalent Bond and Its Application in Reversible Oil-Based Drilling Fluids." In Lecture Notes in Civil Engineering. Springer Nature Singapore, 2022. http://dx.doi.org/10.1007/978-981-19-3983-9_27.

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Wang, Sheng, Songqi Ma, and Jin Zhu. "Readily Recyclable Thermosets Based on Dynamic Covalent Bonds." In Reactive and Functional Polymers Volume Four. Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-52052-6_7.

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Yang, Yang, Yen Wei, and Yan Ji. "New Properties of Epoxy Vitrimers Brought by Dynamic Covalent Bonds." In Functional and Sustainable Epoxy Vitrimers. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-031-15082-1_5.

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Wang, Cheng-jie, Ping-li Liu, Jin-zhou Zhao, et al. "A Binary Oil Displacement System Based on Dynamic Covalent Bonds of Borate Esters." In Springer Series in Geomechanics and Geoengineering. Springer Nature Singapore, 2025. https://doi.org/10.1007/978-981-96-2363-1_73.

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Otsuka, Hideyuki, Yoshifumi Amamoto, Yasuhiro Matsuda, Takeshi Maeda, and Atsushi Takahara. "Synthesis and Reaction of Well-defined Copolymers with Thermally Exchangeable Dynamic Covalent Bonds in the Side Chains." In ACS Symposium Series. American Chemical Society, 2009. http://dx.doi.org/10.1021/bk-2009-1024.ch021.

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Kilic, Ruveyda, and Amitav Sanyal. "Self-Healing Hydrogels Based on Reversible Covalent Linkages: A Survey of Dynamic Chemical Bonds in Network Formation." In Self-Healing and Self-Recovering Hydrogels. Springer International Publishing, 2020. http://dx.doi.org/10.1007/12_2019_59.

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Kojima, Seiji. "Dynamic specific heat and glass transitions." In New Advances in Calorimetry [Working Title]. IntechOpen, 2023. http://dx.doi.org/10.5772/intechopen.1002805.

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The dynamical properties such as fragility, and non-Debye behavior of glass-forming materials have been studied by the frequency-dependent dynamic specific heat. Kubo’s formula on the fluctuation-dissipation theorem defines dynamic specific heat using the correlation function of enthalpy fluctuations. Dynamic specific heat is important for analyzing and understanding various relaxation processes. The dielectric relaxation is caused only by polar atomic motions, while the enthalpy relaxation is caused by total degrees of freedom of atomic motions. This chapter introduces two experimental method
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Huang, Jing, Xiaoyu Zhang, and Mengfei Zhao. "Dynamic Covalent Chemistry in Rubber Crosslinking." In Innovations of Rubber Chemistry and Technology for Sustainability. Royal Society of Chemistry, 2025. https://doi.org/10.1039/9781837675470-00031.

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As a typical class of thermosets, rubbers suffer from great challenges in recycling and reuse. Incorporating dynamic covalent chemistry (DCC) into rubber crosslinking provides a very promising cradle-to-cradle solution to this issue. Rubbers crosslinked with dynamic covalent bonds can reshuffle their network topology at elevated temperatures, endowing rubbers with fascinating properties, such as self-healing, welding, reshaping, and reprocessing, while maintaining good stability enabled by the covalent bonds. To date, diverse DCCs have been introduced in rubbers. In this chapter, a simple intr
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Baer, Tomas, and William L. Hase. "The Dissociation of Small and Large Clusters." In Unimolecular Reaction Dynamics. Oxford University Press, 1996. http://dx.doi.org/10.1093/oso/9780195074949.003.0012.

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Clusters are aggregates of loosely bonded molecules, in which each of the units retains the structure that it has as a free molecule. Because of the weak interactions among the molecules, clusters are stable only in cold environments such as are found in molecular beams. The weak intermolecular bonds provide an interesting testing ground for theories of intramolecular vibrational energy redistribution (IVR) and thus for theories of unimolecular dissociation. In addition, clusters constitute the bridge between the gas and liquid phases. Such phenomena as solvation, heat capacity, and phase tran
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Liu, Yingjun, Yunyan Wei, and Fuwei Dong. "Dual-crosslinked Network Design." In Innovations of Rubber Chemistry and Technology for Sustainability. Royal Society of Chemistry, 2025. https://doi.org/10.1039/9781837675470-00107.

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The application of dynamic covalent bonds (DCBs) in rubber materials has been actively studied in recent years. It is demonstrated that a creative combination of different types of dynamic bonds in crosslinked rubber networks would be a promising strategy to generate high-performance rubbers with balanced mechanical strength and toughness, structural stability, self-healing, and multiple stimuli responsiveness. This chapter provides an overview of recent studies on developing rubber materials that combine typical DCBs with other kinds of chemical bonds (including DCBs, static covalent bonds, a
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Conference papers on the topic "Dynamic covalent bond"

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Cui, Fangda, I. Joga Rao, and Swapnil Moon. "Modeling and Simulation of Structurally Dynamic Crystallizable Shape Memory Polymers With Light-Induced Bond Exchange Reaction." In ASME 2015 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/imece2015-50247.

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Shape Memory polymers (SMPs) is a novel class of smart polymeric materials that have been attracted tremendous scientific interest within the last decades. SMPs have the ability to “remember” their original shape even after undergoing significant deformation into a temporary shape. For most first generation of SMPs, the shape memory effect was accomplished by a thermally induced process, triggered in many different ways, such as heating/cooling, electromagnetic field and infrared light. The transient shape in thermally induced SMPs is due to a glassy phase or a semi-crystalline phase. The ther
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Kaur, Anureet, Meet Fefar, Travis Hohenberger, Keizo Akutagawa, and James Busfield. "Recyclable Elastomers with Dynamic Covalent Bonds: How to Characterize a Reversible Cross-linked Networks." In Technical Meeting of the Rubber Division, ACS. Rubber Division - American Chemical Society (ACS), 2023. http://dx.doi.org/10.52202/073692-0037.

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Park, Jungkyu, and Paul Pena. "Strain Effect on Thermal Transport in Carbon Nanotube-Graphene Junctions." In ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-87764.

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We employ molecular dynamics simulations to explore the effect of tensile strain on the thermal conductivity of carbon nanotube (CNT)-graphene junction structures. Two different types of CNT-graphene junctions are simulated; a perfect seamless junction between CNT and graphene with complete sp2 covalent bonds, and a CNT-graphene junction with mixed sp2/sp3 covalent bonds are studied. The most interesting phenomenon observed in the present research study is that the thermal conductivity of CNT-graphene junction structures increases with an increase in mechanical strain. For the case of CNT-grap
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BISHT, ANKITA, MUNETAKA KUBOTA, and JOHN W. GILLESPIE, JR. "INVESTIGATING THE STRUCTURE OF CVD DEPOSITED AMINO SILANE ON SILICA SUBSTRATE VIA HIGH RESOLUTION CHARACTERIZATION METHODS." In Proceedings for the American Society for Composites-Thirty Eighth Technical Conference. Destech Publications, Inc., 2023. http://dx.doi.org/10.12783/asc38/36690.

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The interphase between glass fiber and an epoxy matrix is a nanometer scale region that governs the load transfer between these constituents in composites. Traditionally, sizing packages are multifunctional and are applied to a fiber surface to protect fibers during handling and weaving while improving wettability and adhesion through covalent bonds between the fiber surface and the matrix. The most conventional sizing application approach is to use epoxy emulsion of silanes and surfactants; however, it leads to non-uniform coating (i.e., coverage and thickness) and a structure that is not wel
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Khadem, Masoud H., and Aaron P. Wemhoff. "Molecular Dynamics Predictions of Thermal Conductivity in Graphene for Phase Change Energy Storage Applications." In ASME 2011 5th International Conference on Energy Sustainability. ASMEDC, 2011. http://dx.doi.org/10.1115/es2011-54158.

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Additives of highly-conducting nanoparticles such as graphene to a phase change material (PCM) improves PCM heat diffusion, which in turn produces better energy storage than pure PCM. Equilibrium Molecular Dynamics (EMD) simulations with Green-Kubo relations are used to predict the thermal conductivity of graphene sheets of various sizes and using different ensemble formulations. The Tersoff potential function has been implemented to model the covalent bonds between carbon atoms. The MD simulations predict an increase in thermal conductivity with graphene sheet size, and the predictions for th
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Palmieri, Barbara. "Feasibility of infusion processing for carbon fiber/vitrimeric epoxy composites." In Material Forming. Materials Research Forum LLC, 2025. https://doi.org/10.21741/9781644903599-261.

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Abstract. Carbon fiber-reinforced composites are highly valued for their exceptional mechanical properties and lightweight nature, but their environmental impact due to non-recyclable thermosetting matrices remains a critical challenge. This study explores the feasibility of integrating vitrimeric epoxy resins with carbon fibers using an infusion process to create sustainable and high-performance composites. Vitrimers, characterized by dynamic covalent bonds, enable recyclability, reprocessability, and repairability while maintaining structural integrity. In the present paper a vitrimer based
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Torkelson, John M., Kailong Jin, Mohammed Bin Rusayyis, Lingqiao Li, Xi Chen, and Sumeng Hu. "Transforming Rubber and Rubber Composite Thermosets into Themoplastics: Dynamic Covalent Bonds Enable Sustainable Recycling of Traditionally Non-Recyclable Polymer Materials." In 200th Fall Technical Meeting of the Rubber Division, American Chemical Society 2021. Rubber Division, American Chemical Society, 2021. http://dx.doi.org/10.52202/064426-0042.

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Kikugawa, Gota, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto. "Heat Transfer Characteristics Over the Interface of Alkanethiolate SAM and Alkane Liquid." In ASME 2013 Heat Transfer Summer Conference collocated with the ASME 2013 7th International Conference on Energy Sustainability and the ASME 2013 11th International Conference on Fuel Cell Science, Engineering and Technology. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/ht2013-17607.

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In the present study, we performed molecular dynamics (MD) simulations of the self-assembled monolayer (SAM) interface system in order to investigate heat transfer characteristics over the SAM/alkane solvent interface. 1-dodecanethiol (C12H25S-) SAM chemisorbed on a gold substrate contacting with n-dodecane (C12H26) solvent was examined to compare the microscopic heat transfer mechanisms inside both the SAM and solvent phases. The direct nonequilibrium MD (NEMD) simulation, in which a constant heat flux across the SAM interface was imposed, was performed. The heat flux through the system was d
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Patel, Ajay M., and Anand Y. Joshi. "Vibration Analysis of Defective Double Walled Carbon Nanotube Based Nano Resonators." In ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-36454.

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The dynamic analysis of zigzag and armchair double walled carbon nanotubes (DWCNTs) with different boundary condition has been performed using atomistic finite element method. The double walled carbon nanotube is modeled considering it as a space frame structure similar to a three dimensional beam. The elastic properties of beam element are calculated by considering mechanical characteristics of covalent bonds between the carbon atoms in the hexagonal lattice. Spring elements are used to describe the interlayer interactions between the inner and outer tubes caused due to the van der Waals forc
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Dexheimer, S. L., D. M. Mittleman, R. W. Schoenlein, et al. "Ultrafast Dynamics of Solid C60." In International Conference on Ultrafast Phenomena. Optica Publishing Group, 1992. http://dx.doi.org/10.1364/up.1992.fc24.

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We present the results of studies of the femtosecond dynamics of C60. This material forms a molecular crystal in the solid state, with relatively weak interactions between the covalently bound quasi-spherical C60 molecules. Thin film samples are prepared by thermal sublimation of purifed C60 powder. The samples are excited with optical pulses of ~12 fs duration in both the red and blue-green regions of the spectrum. Optical pulses centered at 620 nm are generated with a femtosecond laser system consisting of a colliding-pulse modelocked (CPM) dye laser with a copper vapor laser pumped dye ampl
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