Dokument-ID Dokumenttyp Verfasser/Autoren Herausgeber Haupttitel Abstract Auflage Verlagsort Verlag Erscheinungsjahr Seitenzahl Schriftenreihe Titel Schriftenreihe Bandzahl ISBN Quelle der Hochschulschrift Konferenzname Quelle:Titel Quelle:Jahrgang Quelle:Heftnummer Quelle:Erste Seite Quelle:Letzte Seite URN DOI Abteilungen
OPUS4-3153 Wissenschaftlicher Artikel Mortazavi, Bohayra; Pereira, Luiz Felipe C.; Jiang, Jin-Wu; Rabczuk, Timon Modelling heat conduction in polycrystalline hexagonal boron-nitride films We conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size on the thermal conductivity of polycrystalline h-BN films at various temperatures. Using the EMD results, we constructed finite element models of polycrystalline h-BN sheets to probe the thermal conductivity of samples with larger grain sizes. Our multiscale investigations not only provide a general viewpoint regarding the heat conduction in h-BN films but also propose that polycrystalline h-BN sheets present high thermal conductivity comparable to monocrystalline sheets. Scientific Reports urn:nbn:de:gbv:wim2-20170425-31534 10.1038/srep13228 Institut für Strukturmechanik
OPUS4-3141 Wissenschaftlicher Artikel Jiang, Jin-Wu; Zhuang, Xiaoying; Rabczuk, Timon Orientation dependent thermal conductance in single-layer MoS 2 We investigate the thermal conductivity in the armchair and zigzag MoS2 nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal conductivity. Particularly, the thermal conductivity for the armchair MoS2 nanoribbon is about 673.6 Wm−1 K−1 in the armchair nanoribbon, and 841.1 Wm−1 K−1 in the zigzag nanoribbon at room temperature. By calculating the Caroli transmission, we disclose the underlying mechanism for this strong orientation dependence to be the fewer phonon transport channels in the armchair MoS2 nanoribbon in the frequency range of [150, 200] cm−1. Through the scaling of the phonon dispersion, we further illustrate that the thermal conductivity calculated for the MoS2 nanoribbon is esentially in consistent with the superior thermal conductivity found for graphene. Scientific Reports urn:nbn:de:gbv:wim2-20170418-31417 10.1038/srep02209 Institut für Strukturmechanik
OPUS4-3331 Wissenschaftlicher Artikel Jiang, Jin-Wu; Wang, Bing-Shen; Rabczuk, Timon Phonon modes in single-walled molybdenum disulphide nanotubes: lattice dynamics calculation and molecular dynamics simulation Phonon modes in single-walled molybdenum disulphide nanotubes: lattice dynamics calculation and molecular dynamics simulation Nanotechnology Institut für Strukturmechanik
OPUS4-3339 Wissenschaftlicher Artikel Jiang, Jin-Wu; Park, Harold S.; Rabczuk, Timon MoS2 nanoresonators: intrinsically better than graphene? MoS2 nanoresonators: intrinsically better than graphene? 7 Nanoscale 3618 3625 Institut für Strukturmechanik
OPUS4-3371 Wissenschaftlicher Artikel Zhao, Jun-Hua; Wang, L.; Jiang, Jin-Wu; Wang, Z.; Guo, Wanlin; Rabczuk, Timon A comparative study of two molecular mechanics models based on harmonic potentials A comparative study of two molecular mechanics models based on harmonic potentials Journal of Applied Physics Institut für Strukturmechanik
OPUS4-3387 Wissenschaftlicher Artikel Jiang, Jin-Wu; Zhao, Jun-Hua; Zhou, K.; Rabczuk, Timon Superior thermal conductivity and extremely high mechanical strength in polyethylene chains from ab initio calculation The upper limit of the thermal conductivity and the mechanical strength are predicted for the polyethylene chain, by performing the ab initio calculation and applying the quantum mechanical non-equilibrium Green's function approach. Specially, there are two main findings from our calculation: (1) the thermal conductivity can reach a high value of 310 Wm−1 K−1 in a 100 nm polyethylene chain at room temperature and the thermal conductivity increases with the length of the chain; (2) the Young's modulus in the polyethylene chain is as high as 374.5 GPa, and the polyethylene chain can sustain 32.85%±0.05% (ultimate) strain before undergoing structural phase transition into gaseous ethylene. Journal of Applied Physics 10.1063/1.4729489 Institut für Strukturmechanik
OPUS4-3322 Wissenschaftlicher Artikel Zhao, Jun-Hua; Jiang, Jin-Wu; Jia, Yue; Guo, Wanlin; Rabczuk, Timon A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom molecular dynamics calculations and available experimental results shows that the continuum solution has high accuracy. The equilibrium distances between the nanotubes, graphene and substrates with minimum cohesive energy are also provided explicitly. The obtained analytical solution should be of great help for understanding the interaction between the nanostructures and substrates, and designing composites and nanoelectromechanical systems. 11 Carbon 108 119 10.1016/j.carbon.2013.01.041 Institut für Strukturmechanik
OPUS4-3372 Wissenschaftlicher Artikel Zhao, Jun-Hua; Wei, Ning; Fan, Z.; Jiang, Jin-Wu; Rabczuk, Timon Mechanical properties of three types of carbon allotropes Mechanical properties of three types of carbon allotropes Nanotechnology Institut für Strukturmechanik
OPUS4-3365 Wissenschaftlicher Artikel Jiang, Jin-Wu; Zhao, Jun-Hua; Rabczuk, Timon Size-Sensitive Young's Modulus of Kinked Silicon Nanowires We perform both classical molecular dynamics simulations and beam model calculations to investigate the Young's modulus of kinked silicon nanowires (KSiNWs). The Young's modulus is found to be highly sensitive to the arm length of the kink and is essentially inversely proportional to the arm length. The mechanism underlying the size dependence is found to be the interplay between the kink angle potential and the arm length potential, where we obtain an analytic relationship between the Young's modulus and the arm length of the KSiNW. Our results provide insight into the application of this novel building block in nanomechanical devices. Nanotechnology 10.1088/0957-4484/24/18/185702 Institut für Strukturmechanik
OPUS4-3311 Wissenschaftlicher Artikel Zhao, Jun-Hua; Kou, Liangzhi; Jiang, Jin-Wu; Rabczuk, Timon Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures Nanotechnology 10.1088/0957-4484/25/29/295701 Institut für Strukturmechanik
OPUS4-3379 Wissenschaftlicher Artikel Jiang, Jin-Wu; Park, Harold S.; Rabczuk, Timon Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism Nanotechnology Institut für Strukturmechanik
OPUS4-3377 Wissenschaftlicher Artikel Zhang, Yancheng; Zhao, Jiyun; Wei, Ning; Jiang, Jin-Wu; Rabczuk, Timon Effects of the dispersion of polymer wrapped two neighbouring single walled carbon nanotubes (SWNTs) on nanoengineering load transfer Effects of the dispersion of polymer wrapped two neighbouring single walled carbon nanotubes (SWNTs) on nanoengineering load transfer 7 Composites Part B: Engineering 1714 1721 Institut für Strukturmechanik
OPUS4-3280 Wissenschaftlicher Artikel Jiang, Jin-Wu; Rabczuk, Timon; Park, Harold S. A Stillinger-Weber Potential for Single-Layer Black Phosphorus, and the Importance of Cross-Pucker Interactions for Negative Poisson's Ratio and Edge Stress-Induced Bending The distinguishing structural feature of single-layered black phosphorus is its puckered structure, which leads to many novel physical properties. In this work, we first present a new parameterization of the Stillinger-Weber potential for single-layered black phosphorus. In doing so, we reveal the importance of a cross-pucker interaction term in capturing its unique mechanical properties, such as a negative Poisson's ratio. In particular, we show that the cross-pucker interaction enables the pucker to act as a re-entrant hinge, which expands in the lateral direction when it is stretched in the longitudinal direction. As a consequence, single-layered black phosphorus has a negative Poisson's ratio in the direction perpendicular to the atomic plane. As an additional demonstration of the impact of the cross-pucker interaction, we show that it is also the key factor that enables capturing the edge stress-induced bending of single-layered black phosphorus that has been reported in ab initio calculations. Nanoscale 10.1039/C4NR07341J Institut für Strukturmechanik
OPUS4-3319 Wissenschaftlicher Artikel Zhao, Jiyun; Jiang, Jin-Wu; Wang, L.; Guo, Wanlin; Rabczuk, Timon Coarse-grained potentials of single-walled carbon nanotubes Coarse-grained potentials of single-walled carbon nanotubes Journal of the Mechanics and Physics of Solids Institut für Strukturmechanik
OPUS4-3353 Wissenschaftlicher Artikel Jiang, Jin-Wu; Park, Harold S.; Gall, K.; Leach, A.; Rabczuk, Timon A Surface Stacking Fault Energy Approach to Predicting Defect Nucleation in Surface-Dominated Nanostructures A Surface Stacking Fault Energy Approach to Predicting Defect Nucleation in Surface-Dominated Nanostructures Journal of the Mechanics and Physics of Solids Institut für Strukturmechanik
OPUS4-3355 Wissenschaftlicher Artikel Jiang, Jin-Wu; Rabczuk, Timon Mechanical Oscillation of Kinked Silicon Nanowires: a Natural Nanoscale Spring Mechanical Oscillation of Kinked Silicon Nanowires: a Natural Nanoscale Spring Applied Physics Letters Institut für Strukturmechanik
OPUS4-3354 Wissenschaftlicher Artikel Jiang, Jin-Wu; Wang, Bing-Shen; Rabczuk, Timon Why twisting angles are diverse in graphene Moir'e patterns? Why twisting angles are diverse in graphene Moir'e patterns? Journal of Applied Physics Institut für Strukturmechanik
OPUS4-3386 Wissenschaftlicher Artikel Jiang, Jin-Wu; Wang, Bing-Shen; Rabczuk, Timon Acoustic and breathing phonon modes in bilayer graphene with Moire-acute patterns The lattice dynamics properties are investigated for twisting bilayer graphene. There are big jumps for the inter-layer potential at twisting angle θ=0° and 60°, implying the stability of Bernal-stacking and the instability of AA-stacking structures, while a long platform in [8,55]° indicates the ease of twisting bilayer graphene in this wide angle range. Significant frequency shifts are observed for the z breathing mode around θ=0° and 60°, while the frequency is a constant in a wide range [8,55]°. Using the z breathing mode, a mechanical nanoresonator is proposed to operate on a robust resonant frequency in terahertz range. Applied Physics Letters 10.1063/1.4735246 Institut für Strukturmechanik
OPUS4-3274 Wissenschaftlicher Artikel Arash, Behrouz; Rabczuk, Timon; Jiang, Jin-Wu Nanoresonators and their applications: a state of the art review Nanoresonators and their applications: a state of the art review Applied Physics Reviews Institut für Strukturmechanik
OPUS4-3356 Wissenschaftlicher Artikel Jiang, Jin-Wu; Rabczuk, Timon Modulation of Thermal Conductivity in kinked Silicon Nanowires: Phonon interchanging and pinching effects or Reduction of thermal conductivity in kinked silicon nanowire superlattices Modulation of Thermal Conductivity in kinked Silicon Nanowires: Phonon interchanging and pinching effects or Reduction of thermal conductivity in kinked silicon nanowire superlattices Nano Letters Institut für Strukturmechanik