• Title/Summary/Keyword: Mechanical interaction

Search Result 1,848, Processing Time 0.03 seconds

The Effect of Water in Four Adenine-Thymine and Three Guanine-Cytosine Pairs: Combining Quantum and Statistical Mechanics

  • Lee, Jinkeong;Ham, Sihyun
    • Proceeding of EDISON Challenge
    • /
    • 2015.03a
    • /
    • pp.151-155
    • /
    • 2015
  • The molecular interactions between the nucleic acid bases and water molecules are important in organism. Despite Adenine-Thymine Hoogsteen base pair and Guanine-Cytosine Watson-Crick base pair have been demonstrated to be most stable in a gas phase, the effect of water on the stability of these base pairs remains elusive. Here we report the structural and thermodynamic characteristics on possible Adenine-Thymine and Guanine-Cytosine base pairs in a gas phase as well as in an aqueous phase by using quantum mechanical method and statistical mechanical calculations. First, we optimized the direct base-pair interaction energies of four Adenine-Thymine base pairs (Hoogsteen base pair, reverse Hoogsteen base pair, Watson-Crick base pair, and reverse Watson-Crick base pair) and three Guanine-Cytosine base pairs (GC1 base pair, GC2 base pair, and Watson Crick base pair) in a gas phase at the $B3LYP/6-31+G^{**}$ level. Then, the effect of solvent was quantified by the electronic reorganization energy and the solvation free energy by statistical mechanical calculations. Thereby, we discuss the effect of water on the stability of Adenine-Thymine and Guanine-Cytosine base pairs, and argue why Adenine-Thymine Watson-Crick base pair and Guanine-Cytosine Watson-Crick base pair are most stable in an aqueous environment.

  • PDF

NUMERICAL INVESTIGATION OF THE SPREADING AND HEAT TRANSFER CHARACTERISTICS OF EX-VESSEL CORE MELT

  • Ye, In-Soo;Kim, Jeongeun Alice;Ryu, Changkook;Ha, Kwang Soon;Kim, Hwan Yeol;Song, Jinho
    • Nuclear Engineering and Technology
    • /
    • v.45 no.1
    • /
    • pp.21-28
    • /
    • 2013
  • The flow and heat transfer characteristics of the ex-vessel core melt (corium) were investigated using a commercial CFD code along with the experimental data on the spreading of corium available in the literature (VULCANO VE-U7 test). In the numerical simulation of the unsteady two-phase flow, the volume-of-fluid model was applied for the spreading and interfacial surface formation of corium with the surrounding air. The effects of the key parameters were evaluated for the corium spreading, including the radiation, decay heat, temperature-dependent viscosity and initial temperature of corium. The results showed a reasonable trend of corium progression influenced by the changes in the radiation, decay heat, temperature-dependent viscosity and initial temperature of corium. The modeling of the viscosity appropriate for corium and the radiative heat transfer was critical, since the front progression and temperature profiles were strongly dependent on the models. Further development is required for the code to consider the formation of crust on the surfaces of corium and the interaction with the substrate.

Manufacturing 2DOF Inflatable Joint Actuator by Pneumatic Control (공압제어를 통한 2DOF 팽창식 관절 액추에이터 제작)

  • Oh, Namsoo;Lee, Haneol;Rodrigue, Hugo
    • The Journal of Korea Robotics Society
    • /
    • v.13 no.2
    • /
    • pp.92-96
    • /
    • 2018
  • In this paper, a soft robotic arm which can prevent impact injury during human-robot interaction is introduced. Two degrees of freedom joint are required to realize free movement of the robotic arm. A robotic joint concept with a single degree of freedom is presented using simple inflatable elements, and then extended to form a robotic joint with two degrees of freedom joint using similar manufacturing methods. The robotic joint with a single degree of freedom has a joint angle of $0^{\circ}$ bending angle when both chamber are inflated at equal pressures and maximum bending angles of $28.4^{\circ}$ and $27.1^{\circ}$ when a single chamber if inflated. The robotic joint with two degrees of freedom also has a bending angle of $0^{\circ}$ in both direction when all three chambers are inflated at equal pressures. When either one or two chambers were pressurized, the robotic joint performed bending towards the uninflated chambers.

Simulation of Energy Conversion Characteristics of OMACON LM-MHD Systems (OMACON형 LM-MHD 시스템에서의 에너지전환특성 시뮬레이션)

  • 김창녕
    • Journal of the Korea Society for Simulation
    • /
    • v.6 no.2
    • /
    • pp.1-14
    • /
    • 1997
  • The characteristics of the flow and energy conversion in OMACON liquid-metal MHD system are investigated. Numerical simulation of two-phase flow in the OMACON system without magnetic field was carried out by the Phoenics code and the energy conversion characteristics are studied in association with the fact that the mechanical energy loss at the nozzle of the OMACON system are to be converted into electrical energy. In this system, working fluid (gas) is injected through the mixer located at the bottom of the riser, and is mixed with hot liquid metal. Therefore in the riser two-phase flow is developed under the influence of the gravity. In this study, the interaction between the gas and liquid is considered by the use of IPSA(InterPhase Slip Algorithm) where standard drag coefficient has been used. It has been assumed that in the flow regime the liquid is continuous and the gas is dispersed. For the liquid and gas, the continuity equations, momentum equations and energy equations are solved respectively in association with void fraction in the flow field. In order to calculate the energy conversion efficiency, firstly the ratio of the mechanical energy loss of liquid metal flow at the nozzle to the input thermal energy is considered. Secondly flow pattern of liquid metal in the generator has been analyzed, and the characteristics of the conversion of the mechanical energy into the electrical energy has been investigated. For an representative case where Hartmann number is 540 and magnetic field is 0.35 T, the present analysis shows that the energy conversion efficiency is 0.653. This result is considered to be reasonable in comparison with published experimental results.

  • PDF

Calcium Phosphate Bone Cement Based on Wet Prepared Dicalcium Phosphate

  • Chang, Myung Chul
    • Journal of the Korean Ceramic Society
    • /
    • v.55 no.5
    • /
    • pp.480-491
    • /
    • 2018
  • Calcium phosphates (CaP) were prepared by a wet chemical method. Micro-crystalline dicalcium phosphate (DCPD) was precipitated at $37^{\circ}C$ and pH 5.0 using $Ca(OH)_2$ and $H_3PO_4$. The precipitated DCPD solution was kept at $37^{\circ}C$ for 96 h. Artificial bone cement was composed of DCPD, $Ca(H_2PO_4)_2{\cdot}H_2O$ (MCPM), and $CaSO_4{\cdot}1/2H_2O$, $H_2O$ and aqueous poly-phosphoric acid solution. The wet prepared CaP powder was used as a matrix for the bone cement recipe. With the addition of aqueous poly-phosphoric acid, the cement hardening reaction was started and the CaP bone cement blocks were fabricated for the mechanical strength measurement. For the tested blocks, the mechanical strength was measured using a universal testing machine, and the microstructure phase analysis was done by field emission scanning electron microscopy and X-ray diffraction. The cement hardening reaction occurred through the decomposition and recrystallization of MCPM and $CaSO_4{\cdot}1/2H_2O$ added on the surface of the wet prepared CaP, and this resulted in grain growth in the bone cement block.

Incompressible smoothed particle hydrodynamics modeling of thermal convection

  • Moballa, Burniadi;Chern, Ming-Jyh;Odhiambo, Ernest
    • Interaction and multiscale mechanics
    • /
    • v.6 no.2
    • /
    • pp.211-235
    • /
    • 2013
  • An incompressible smoothed particle hydrodynamics (ISPH) method based on the incremental pressure projection method is developed in this study. The Rayleigh-B$\acute{e}$nard convection in a square enclosure is used as a validation case and the results obtained by the proposed ISPH model are compared to the benchmark solutions. The comparison shows that the established ISPH method has a good performance in terms of accuracy. Subsequently, the proposed ISPH method is employed to simulate natural convection from a heated cylinder in a square enclosure. It shows that the predictions obtained by the ISPH method are in good agreements with the results obtained by previous studies using alternative numerical methods. A rotating and heated cylinder is also considered to study the effect of the rotation on the heat transfer process in the enclosure space. The numerical results show that for a square enclosure at, the addition of kinetic energy in the form of rotation does not enhance the heat transfer process. The method is also applied to simulate forced convection from a circular cylinder in an unbounded uniform flow. In terms of results, it turns out that the proposed ISPH model is capable to simulate heat transfer problems with the complex and moving boundaries.

Flow structure of wake behind a finite circular cylinder (자유단이 있는 원주의 후류 유동특성에 관한 실험적 연구)

  • Lee, Sang-Jun;Jeong,Yong-Sam
    • Transactions of the Korean Society of Mechanical Engineers B
    • /
    • v.20 no.6
    • /
    • pp.2014-2022
    • /
    • 1996
  • Flow characteristics of the wake behind a finite circular cylinder(FC) mounted on a flat plate was experimentally investigated. Three finite cylinder models having aspect ratio (length to diameter ratio, L/D) of 6,10 and 13 were tested in this study. Wake velocity was measured by a hot-wire anemometry at Reynolds number of 20,000, and the results were compared with those of two-dimensional circular cylinder. As a result, the free-end effect on the wake structure becomes more dominant with decreasing the aspect ratio(L/D) of the finite cylinder. Invisid flow entrained into the wake region decreases the turbulence intensity and periodicity of the vortex shedding due to existence of the free end. From spectral analysis and cross correlation of the velocity signals, vortices having 24Hz frequency characteristics are found in the down wash flow just behind the free end. There exists very complicated flow near the free end due to interaction between the entrained flow and streamwise vortices. Vortex formation region is destroyed significantly in the near wake and shows quite different wake structures from those of 2-D cylinder.

Adaptive Control of the Atomic Force Microscope of Tapping Mode: Chaotic Behavior Analysis (진동방식의 원자간력 현미경으로 표면형상 측정시 발행하는 혼돈현상의 적응제어)

  • Kang, Dong-Hunn;Hong, Keum-Shik
    • Journal of Institute of Control, Robotics and Systems
    • /
    • v.6 no.1
    • /
    • pp.57-65
    • /
    • 2000
  • In this paper, a model reference adaptive control for the atomic force microscope (AFM) of tapping mode is investigated. The dynamics between the AFM system and al sample is mathematically modeled as a second order spring-mass-damper system with oscillatory inputs. The attractive and repulsive forces between the tip of the AFM system and the sample are derived using the Lennard-Jones potential energy. By non-dimensionalizing the displacement of the tip and the input frequency, the chaotic behavior near a resonance frequency is better depicted through the non-dimensionalized equations. Four nonlinear analysis techniques, a phase portrait, sensitive dependence on initial conditions, a power spectral density function, and a Pomcare map are investigated. Because the equations of motion derived in this paper involve unknown parameter values such as the damping effect of the air and the interaction constants between materials, the standard model reference adaptive control is adopted. Two control objectives, the prevention of chaos and the tracking of reference signal, are pursued. Simulation results are included.

  • PDF

CFD-FSI simulation of vortex-induced vibrations of a circular cylinder with low mass-damping

  • Borna, Amir;Habashi, Wagdi G.;McClure, Ghyslaine;Nadarajah, Siva K.
    • Wind and Structures
    • /
    • v.16 no.5
    • /
    • pp.411-431
    • /
    • 2013
  • A computational study of vortex-induced transverse vibrations of a cylinder with low mass-damping is presented. An Arbitrary Lagrangian-Eulerian (ALE) formulation of the Unsteady Reynolds-Averaged Navier-Stokes equations (URANS), along with the Spalart-Allmaras (SA) one-equation turbulence model, are coupled conservatively with rigid body motion equations of the cylinder mounted on elastic supports in order to study the amplitude and frequency response of a freely vibrating cylinder, its flow-induced motion, Vortex Street, near-wake flow structure, and unsteady loading in a moderate range of Reynolds numbers. The time accurate response of the cylinder from rest to its limit cycle is studied to explore the effects of Reynolds number on the start of large displacements, motion amplitude, and frequency. The computational results are compared with published physical experiments and numerical studies. The maximum amplitudes of displacements computed for various Reynolds numbers are smaller than the experimental values; however, the overall agreement of the results is quite satisfactory, and the upper branch of the limit-cycle displacement amplitude vs. reduced velocity response is captured, a feature that was missed by other studies. Vortex shedding modes, lock-in phenomena, frequency response, and phase angles are also in agreement with experiments.

Evaluation of interfacial shear stress in active steel tube-confined concrete columns

  • Nematzadeh, Mahdi;Ghadami, Jaber
    • Computers and Concrete
    • /
    • v.20 no.4
    • /
    • pp.469-481
    • /
    • 2017
  • This paper aims to analytically investigate the effect of shear stress at the concrete-steel interface on the mechanical behavior of the circular steel tube-confined concrete (STCC) stub columns with active and passive confinement subjected to axial compression. Nonlinear 3D finite element models divided into the four groups, i.e. circumferential-grooved, talc-coated, lubricated, and normal groups, with active and passive confinement were developed. An innovative method was used to simulate the actively-confined specimens, and then, the results of the finite element models were compared with those of the experiments previously conducted by the authors. It was revealed that both the predicted peak compressive strength and stress-strain curves have good agreement with the corresponding values measured for the confined columns. Then, the mechanical properties of the active and passive specimens such as the concrete-steel interaction, longitudinal and hoop stresses of the steel tube, confining pressure applied to the concrete core, and compressive stress-strain curves were analyzed. Furthermore, a parametric study was performed to explore the effects of the concrete compressive strength, steel tube diameter-to-wall thickness ratio, and prestressing level on the compressive behavior of the STCC columns. The results indicate that reducing or removing the interfacial shear stress in the active and passive specimens leads to an increase in the hoop stress and confining pressure, while the longitudinal stress along the steel tube height experiences a decrease. Moreover, prestressing via the presented method is capable of improving the compressive behavior of STCC columns.