Kinetic Path to Fluid Dynamics in Membranes

2002 ◽  
Vol 752 ◽  
Author(s):  
A. ten Bosch
Keyword(s):  
Fluid Dynamics ◽  
Numerical Simulation ◽  
Molecular Dynamics ◽  
Atomic Scale ◽  
Small Scale ◽  
Pressure Tensor ◽  
Interparticle Interactions ◽  
Membrane Processes ◽  
Average System ◽  
System Properties

ABSTRACTAtomic scale dynamic theories and numerical simulation can explore atomistic processes but the relevant physics must fold atomistic understanding into a mesoscopic formulation in terms of average system properties. Transport equations for the density(or concentration), the flux and the pressure tensor are derived from a microscopic basis which mimics simulation by molecular dynamics. The validity of classical hydrodynamics is explored. The method includes interparticle interactions and small scale variations in time and space of relevance to modeling of membrane processes.

scholarly journals Nanoindentation on the bio-inspired high-performance nature composite by molecular dynamics method

2019 ◽  
Vol 28 ◽  
pp. 096369351986016 ◽  
Author(s):  
Amin Nouroozi Masir ◽  
Abolfazl Darvizeh ◽  
Asghar Zajkani
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Elastic Modulus ◽  
Composite Structures ◽  
High Performance ◽  
Inorganic Materials ◽  
Atomic Scale ◽  
Small Scale ◽  
Different Temperatures ◽  
Research Findings

The determination of mechanical properties at the nanoscale is of such importance today that researchers pay special attention to it. Discovering the mechanical properties of biological composite structures in the nanoscale is much interesting today. Top neck mollusk shells are among biomaterial nanocomposites that their layered structures are composed of organic and inorganic materials. Since the nanoindentation process is known as an efficient method to determine mechanical properties like elastic modulus and hardness in small scale, therefore, due to some limitations of considering all peripheral parameters, particular simulations of temperature effect in the atomic scale are considerable. The present article provides a molecular dynamics approach for modeling the nanoindentation mechanism with three types of pyramidal, cubic, and spherical indenters at different temperatures of 173, 273, 300, and 373°K. Based on load-indentation depth diagrams and Oliver–Pharr equations, research findings indicate that the temperature has weakened the power between the biological atoms; this leads to reduced mechanical properties. An increase in temperature causes a reduction in elastic modulus and hardness. There was correspondence between the results obtained from the spherical indenter and experimental data. This study can be regarded as a novel benchmark study for further research studies which tend to consider structural responses of the various bio-inspired nanocomposites.

Direct numerical simulation of a turbulent jet impinging on a heated wall

2015 ◽  
Vol 764 ◽  
pp. 362-394 ◽  
Author(s):  
T. Dairay ◽  
V. Fortuné ◽  
E. Lamballais ◽  
L.-E. Brizzi
Keyword(s):  
Heat Transfer ◽  
Numerical Simulation ◽  
Nusselt Number ◽  
Direct Numerical Simulation ◽  
Temperature Fields ◽  
Heated Wall ◽  
Small Scale ◽  
Turbulent Regime ◽  
High Heat Transfer ◽  
Radial Evolution

AbstractDirect numerical simulation (DNS) of an impinging jet flow with a nozzle-to-plate distance of two jet diameters and a Reynolds number of 10 000 is carried out at high spatial resolution using high-order numerical methods. The flow configuration is designed to enable the development of a fully turbulent regime with the appearance of a well-marked secondary maximum in the radial distribution of the mean heat transfer. The velocity and temperature statistics are validated with documented experiments. The DNS database is then analysed focusing on the role of unsteady processes to explain the spatial distribution of the heat transfer coefficient at the wall. A phenomenological scenario is proposed on the basis of instantaneous flow visualisations in order to explain the non-monotonic radial evolution of the Nusselt number in the stagnation region. This scenario is then assessed by analysing the wall temperature and the wall shear stress distributions and also through the use of conditional averaging of velocity and temperature fields. On one hand, the heat transfer is primarily driven by the large-scale toroidal primary and secondary vortices emitted periodically. On the other hand, these vortices are subjected to azimuthal distortions associated with the production of radially elongated structures at small scale. These distortions are responsible for the appearance of very high heat transfer zones organised as cold fluid spots on the heated wall. These cold spots are shaped by the radial structures through a filament propagation of the heat transfer. The analysis of probability density functions shows that these strong events are highly intermittent in time and space while contributing essentially to the secondary peak observed in the radial evolution of the Nusselt number.

Experimental and Numerical Evaluation of Small-Scale Cryosurgery Using Ultrafine Cryoprobe

2013 ◽  
Vol 4 (4) ◽  
Author(s):  
Junnosuke Okajima ◽  
Atsuki Komiya ◽  
Shigenao Maruyama
Keyword(s):  
Heat Transfer ◽  
Numerical Simulation ◽  
Heat Transfer Coefficient ◽  
Temperature Distribution ◽  
Surface Temperature ◽  
Numerical Evaluation ◽  
Small Scale ◽  
Outer Diameter ◽  
Cooling Performance ◽  
The Heat Transfer Coefficient

The objective of this work is to experimentally and numerically evaluate small-scale cryosurgery using an ultrafine cryoprobe. The outer diameter (OD) of the cryoprobe was 550 μm. The cooling performance of the cryoprobe was tested with a freezing experiment using hydrogel at 37 °C. As a result of 1 min of cooling, the surface temperature of the cryoprobe reached −35 °C and the radius of the frozen region was 2 mm. To evaluate the temperature distribution, a numerical simulation was conducted. The temperature distribution in the frozen region and the heat transfer coefficient was discussed.

Graphene-Based Resonant Sensors for Detection of Ultra-Fine Nanoparticles: Molecular Dynamics and Nonlocal Elasticity Investigations

NANO ◽  
2015 ◽  
Vol 10 (02) ◽  
pp. 1550024 ◽  
Author(s):  
S. Kamal Jalali ◽  
M. Hassan Naei ◽  
Nicola Maria Pugno
Keyword(s):  
Molecular Dynamics ◽  
Nonlocal Elasticity ◽  
Md Simulations ◽  
Small Scale ◽  
Frequency Shifts ◽  
Resonant Sensors ◽  
Embedded Atom ◽  
Metal Metal ◽  
Spring System ◽  
Mass Spring

Application of single layered graphene sheets (SLGSs) as resonant sensors in detection of ultra-fine nanoparticles (NPs) is investigated via molecular dynamics (MD) and nonlocal elasticity approaches. To take into consideration the effect of geometric nonlinearity, nonlocality and atomic interactions between SLGSs and NPs, a nonlinear nonlocal plate model carrying an attached mass-spring system is introduced and a combination of pseudo-spectral (PS) and integral quadrature (IQ) methods is proposed to numerically determine the frequency shifts caused by the attached metal NPs. In MD simulations, interactions between carbon–carbon, metal–metal and metal–carbon atoms are described by adaptive intermolecular reactive empirical bond order (AIREBO) potential, embedded atom method (EAM), and Lennard–Jones (L–J) potential, respectively. Nonlocal small-scale parameter is calibrated by matching frequency shifts obtained by nonlocal and MD simulation approaches with same vibration amplitude. The influence of nonlinearity, nonlocality and distribution of attached NPs on frequency shifts and sensitivity of the SLGS sensors are discussed in detail.

Pneumatic pulsator design as an example of numerical simulations in engineering applications

2012 ◽  
Vol 2 (1) ◽  
Author(s):  
Krzysztof Wołosz ◽  
Jacek Wernik
Keyword(s):  
Fluid Dynamics ◽  
Numerical Simulation ◽  
Cast Iron ◽  
Numerical Simulations ◽  
Stress Analysis ◽  
Aluminium Alloy ◽  
Loose Material ◽  
Engineering Applications ◽  
Pressure Losses ◽  
Pneumatic Impact

AbstractThe paper presents the part of the investigation that has been carried out in order to develop the pneumatic pulsator which is to be employed as an unblocking device at lose material silo outlets. The part of numerical simulation is reported. The fluid dynamics issues have been outlined which are present during supersonic airflow thought the head of the pulsator. These issues describe the pneumatic impact phenomenon onto the loose material bed present in the silo to which walls the pulsator is assembled. The investigation presented in the paper are industrial applicable and the result is the working prototype of the industrial pneumatic pulsator. The numerical simulation has led to change the piston shape which is moving inside the head of the pulsator, and therefore, to reduce the pressure losses during the airflow. A stress analysis of the pulsator controller body has been carried out while the numerical simulation investigation part of the whole project. The analysis has made possible the change of the controller body material from cast iron to aluminium alloy.

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