• 제목/요약/키워드: Initial equilibrium position

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Molecular-dynamic simulation on the equilibrium and dynamical properties of fluids in a nano-channel

  • Hoang, H.;Kang, S.;Suh, Y.K.
    • 한국전산유체공학회:학술대회논문집
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    • 한국전산유체공학회 2008년도 학술대회
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    • pp.208-214
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    • 2008
  • The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids (the Lennard-Jones fluid, water and aqueous sodium-chloride solution) confined between two plates that are separated by 1.086 nm; included in the equilibrium properties are the density distribution and the static structure, and the diffusivity in the dynamic property. Three kinds of fluids considered in this study are. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

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Molecular-dynamic simulation on the equilibrium and dynamical properties of fluids in a nano-channel

  • Hoang, H.;Kang, S.;Suh, Y.K.
    • 한국전산유체공학회:학술대회논문집
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    • 한국전산유체공학회 2008년 추계학술대회논문집
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    • pp.208-214
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    • 2008
  • The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids (the Lennard-Jones fluid, water and aqueous sodium-chloride solution) confined between two plates that are separated by 1.086 nm; included in the equilibrium properties are the density distribution and the static structure, and the diffusivity in the dynamic property. Three kinds of fluids considered in this study are. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

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A topological optimization method for flexible multi-body dynamic system using epsilon algorithm

  • Yang, Zhi-Jun;Chen, Xin;Kelly, Robert
    • Structural Engineering and Mechanics
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    • 제37권5호
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    • pp.475-487
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    • 2011
  • In a flexible multi-body dynamic system the typical topological optimization method for structures cannot be directly applied, as the stiffness varies with position. In this paper, the topological optimization of the flexible multi-body dynamic system is converted into structural optimization using the equivalent static load method. First, the actual boundary conditions of the control system and the approximate stiffness curve of the mechanism are obtained from a flexible multi-body dynamical simulation. Second, the finite element models are built using the absolute nodal coordination for different positions according to the stiffness curve. For efficiency, the static reanalysis method is utilized to solve these finite element equilibrium equations. Specifically, the finite element equilibrium equations of key points in the stiffness curve are fully solved as the initial solution, and the following equilibrium equations are solved using a reanalysis method with an error controlled epsilon algorithm. In order to identify the efficiency of the elements, a non-dimensional measurement is introduced. Finally, an improved evolutional structural optimization (ESO) method is used to solve the optimization problem. The presented method is applied to the optimal design of a die bonder. The numerical results show that the presented method is practical and efficient when optimizing the design of the mechanism.

MOLECULAR-DYNAMIC SIMULATION ON THE STATICAL AND DYNAMICAL PROPERTIES OF FLUIDS IN A NANO-CHANNEL

  • Hoang, Hai;Kang, Sang-Mo;Suh, Yong-Kweon
    • 한국전산유체공학회지
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    • 제14권1호
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    • pp.24-34
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    • 2009
  • The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids confined between two plates that are separated by 1.086 nm; included in the statical properties are the density distribution and the static structure, and the autocorrelation velocity function in the dynamic property. Three kinds of fluids considered in this study are the Lennard-Jones fluid, water and aqueous sodium-chloride solution. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

봉함도에 따른 포장담배의 저장수명 예측 (Shelf-life prediction of packaged cigarette subjected to different degrees of sealing)

  • Keun-hoi Lee;young-hoh Kim;young-taek Lee;Kwang-soo Rhim;yong-tae Kim
    • 한국연초학회지
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    • 제12권2호
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    • pp.59-65
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    • 1990
  • 저장온도, 상대습도 및 봉함도에 따른 유연필름 포장 담배의 저장수명을 컴퓨터를 이용하여 예측한 수치와 실험치를 Student's t test한 결과 $\alpha$=0.01로 높은 정확도를 나타냈다. 근본적으로 저장온도가 높을수록, 또 초기의 평형습도 차가 클수록 저장수명은 짧아졌으며 비교적 고온에서 water vapor의 이동이 더 높게 일어났다. 저장수명에 대한 온도, 봉함도, 상대습도등의 기여도가 SPSS를 이용한 통계분석에 의하면 각각 -0.49, -0.39, -0.28로 저장수명 요인중 봉함도(Sealing degree)도 수명을 단축시키는 주요 인자임을 밝혔으며 포장담배를 6개월 이상 유통시키기위해서는 film포장의 봉함도가 600ml/min, 20mmH2O이하가 되어야함을 알 수 있었다.

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단단한 종양 안에 수동 조준된 약물의 전달에 관한 확산에 기초한 모델 이론 (A Diffusion-based Model Theory of Passive-Targeted Drug Delivery in Solid Tumors)

  • 최준혁;강남룡;최상돈
    • 한국의학물리학회지:의학물리
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    • 제18권3호
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    • pp.161-166
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    • 2007
  • 공모양의 단단한 종양안에서 수동조준된 약물의 전달에 관한 모델이론이 적절한 경계조건과 초기조건하에서 픽의 확산법칙으로부터 유도된다. 종양안의 농도는 초기값이 일정하면 시간과 지름의 함수로 나타난다. 생각실험(사고실험)으로부터 예측되는 바와 같이, 농도는 시간이 경과함에 따라 평형값에 접근한다. 시간에 따른 농도의 변화는 조직안의 약물의 확산계수, 종양의 크기, 주입된 약물의 양, 경계면에서의 농도의 물매(gradient)에 의해 결정된다.

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A model for investigating vehicle-bridge interaction under high moving speed

  • Liu, Hanyun;Yu, Zhiwu;Guo, Wei;Han, Yan
    • Structural Engineering and Mechanics
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    • 제77권5호
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    • pp.627-635
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    • 2021
  • The speed of rail vehicles become higher and higher over two decades, and China has unveiled a prototype high-speed train in October 2020 that has been able to reach 400 km/h. At such high speeds, wheel-rail force items that had previously been ignored in common computational model should be reevaluated and reconsidered. Aiming at this problem, a new model for investigating the vehicle-bridge interaction at high moving speed is proposed. Comparing with the common model, the new model was more accurate and applicable, because it additionally considers the second-order pseudo-inertia forces effect and its modeling equilibrium position was based on the initial deformed curve of bridge, which could include the influences of temperature, pre-camber, shrinkage and creep deformation, and pier uneven settlement, etc. Taking 5 km/h as the speed interval, the dynamic responses of the classical vehicle-bridge system in the speed range of 5 km/h to 400 km/h are studied. The results show that ignoring the second-order pseudo-inertia force will underestimate the dynamic response of vehicle-bridge system and make the high-speed railway bridge structure design unsafe.

좌초선의 이초 계획 수립을 위한 정적 평형 기반의 자세 계산 방법 (A Calculation Method of the Ship's Posture Based on the Static Equilibrium for the Refloating Plan of the Stranded Ship)

  • 이우용;함승호;구남국
    • 대한조선학회논문집
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    • 제59권1호
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    • pp.55-63
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    • 2022
  • A stranded ship means a ship which is stuck on a rock or a seabed, and cannot move by itself. The lightening plan is required to refloat the stranded ship. For this, we have to understand the forces and moments acting on the ship, which is composed of the gravity, buoyancy, and reaction force due to the touched area below the ship. This study defines those forces and moments, and proposed the calculation method to find the posture based on the static equilibrium. It is divided by two steps. In the first step, the magnitude and position of the reaction force are obtained based on the known information such as initial trim angle and draft of the ship. In the second step, the reaction force and the posture is calculated due to the three cases such as addition, reduction, and movement of the cargo. It is applied to three examples in order to calculate the reaction force, and the trim angle due to changes of the cargo. As a results, we successfully obtain the magnitudes and positions of forces acting on the stranded ship and to check the posture of the stranded ship.

다이아프램 정량펌프의 맥동감쇄 장치 (Pulsation Dampener for Diaphragm Metering Pump)

  • 윤승원
    • 한국정밀공학회:학술대회논문집
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    • 한국정밀공학회 2004년도 추계학술대회 논문집
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    • pp.1143-1147
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    • 2004
  • A mechanical type pulsation dampener for the diaphragm metering pump has been developed. The pulsation pressure is an inevitable phenomenon for the positive displacement pump such as cam operated or solenoid operated metering pump. The pulsation pressure of the metering pump could be the noise source and would be harmful for the piping system which delivers hydraulic fluid. Developed pulsation dampener consists of three coil springs which have different spring constant and height each other. Depending on pressure magnitude of the piping system, total hydraulic pressure on damping diaphragm which compresses coil springs will be varied. Force equilibrium of the pulsation dampener will be set by manual by adjusting the compressed coil spring height. During the discharge stroke, pulsation dampener stores potential energy that is released as the pumping diaphragm back to an initial position during the suction stroke.

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상대 절점 변위를 이용한 비선형 유한 요소 해석법 (A Relative Nodal Displacement Method for Element Nonlinear Analysis)

  • 김완구;배대성
    • 대한기계학회논문집A
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    • 제29권4호
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    • pp.534-539
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    • 2005
  • Nodal displacements are referred to the initial configuration in the total Lagrangian formulation and to the last converged configuration in the updated Lagrangian furmulation. This research proposes a relative nodal displacement method to represent the position and orientation for a node in truss structures. Since the proposed method measures the relative nodal displacements relative to its adjacent nodal reference frame, they are still small for a truss structure undergoing large deformations for the small size elements. As a consequence, element formulations developed under the small deformation assumption are still valid for structures undergoing large deformations, which significantly simplifies the equations of equilibrium. A structural system is represented by a graph to systematically develop the governing equations of equilibrium for general systems. A node and an element are represented by a node and an edge in graph representation, respectively. Closed loops are opened to form a spanning tree by cutting edges. Two computational sequences are defined in the graph representation. One is the forward path sequence that is used to recover the Cartesian nodal displacements from relative nodal displacement sand traverses a graph from the base node towards the terminal nodes. The other is the backward path sequence that is used to recover the nodal forces in the relative coordinate system from the known nodal forces in the absolute coordinate system and traverses from the terminal nodes towards the base node. One open loop and one closed loop structure undergoing large deformations are analyzed to demonstrate the efficiency and validity of the proposed method.