scholarly journals Numerical Simulations for Large Deformation of Geomaterials Using Molecular Dynamics

2018 ◽  
Vol 2018 ◽  
pp. 1-6
Author(s):  
Ziyang Zhao ◽  
Jun Zhang
Keyword(s):  
Molecular Dynamics ◽  
Large Deformation ◽  
Granular Flow ◽  
Three Dimensional ◽  
Damping Force ◽  
Viscous Material ◽  
Runout Distance ◽  
Models Comparison ◽  
Dense Granular Flow ◽  
High Degree

From the microperspective, this paper presents a model based on a new type of noncontinuous theoretical mechanical method, molecular dynamics (MD), to simulate the typical soil granular flow. The Hertzian friction formula and viscous damping force are introduced in the MD governing equations to model the granular flow. To show the validity of the proposed approach, a benchmark problem of 2D viscous material flow is simulated. The calculated final flow runout distance of the viscous material agrees well with the result of constrained interpolated profile (CIP) method as reported in the literature. Numerical modeling of the propagation of the collapse of three-dimensional axisymmetric sand columns is performed by the application of MD models. Comparison of the MD computational runout distance and the obtained distance by experiment shows a high degree of similarity. This indicates that the proposed MD model can accurately represent the evolution of the granular flow. The model developed may thus find applications in various problems involving dense granular flow and large deformations, such as landslides and debris flow. It provides a means for predicting fluidization characteristics of soil large deformation flow disasters and for identification and design of appropriate protective measures.

scholarly journals A Numerical Study of Sub-Millisecond Integrated Mix-and-Inject Microfluidic Devices for Sample Delivery at Synchrotron and XFELs

2021 ◽  
Vol 11 (8) ◽  
pp. 3404
Author(s):  
Majid Hejazian ◽  
Eugeniu Balaur ◽  
Brian Abbey
Keyword(s):  
Molecular Dynamics ◽  
Flow Rate ◽  
Numerical Study ◽  
Three Dimensional ◽  
Microfluidic Devices ◽  
Liquid Jets ◽  
Mixing Efficiency ◽  
X Ray Diffraction ◽  
Cross Sectional ◽  
Time Required

Microfluidic devices which integrate both rapid mixing and liquid jetting for sample delivery are an emerging solution for studying molecular dynamics via X-ray diffraction. Here we use finite element modelling to investigate the efficiency and time-resolution achievable using microfluidic mixers within the parameter range required for producing stable liquid jets. Three-dimensional simulations, validated by experimental data, are used to determine the velocity and concentration distribution within these devices. The results show that by adopting a serpentine geometry, it is possible to induce chaotic mixing, which effectively reduces the time required to achieve a homogeneous mixture for sample delivery. Further, we investigate the effect of flow rate and the mixer microchannel size on the mixing efficiency and minimum time required for complete mixing of the two solutions whilst maintaining a stable jet. In general, we find that the smaller the cross-sectional area of the mixer microchannel, the shorter the time needed to achieve homogeneous mixing for a given flow rate. The results of these simulations will form the basis for optimised designs enabling the study of molecular dynamics occurring on millisecond timescales using integrated mix-and-inject microfluidic devices.

scholarly journals A 3D hydrodynamic flow-focusing device for cell sorting

2021 ◽  
Vol 25 (3) ◽  
Author(s):  
Xiaofei Yuan ◽  
Andrew Glidle ◽  
Hitoshi Furusho ◽  
Huabing Yin
Keyword(s):  
Cell Sorting ◽  
Control Strategies ◽  
Three Dimensional ◽  
Hydrodynamic Flow ◽  
Proof Of Concept ◽  
Flow Focusing ◽  
Hydrodynamic Focusing ◽  
Cell Handling ◽  
Fluid Flow Control ◽  
High Degree

AbstractOptical-based microfluidic cell sorting has become increasingly attractive for applications in life and environmental sciences due to its ability of sophisticated cell handling in flow. The majority of these microfluidic cell sorting devices employ two-dimensional fluid flow control strategies, which lack the ability to manipulate the position of cells arbitrarily for precise optical detection, therefore resulting in reduced sorting accuracy and purity. Although three-dimensional (3D) hydrodynamic devices have better flow-focusing characteristics, most lack the flexibility to arbitrarily position the sample flow in each direction. Thus, there have been very few studies using 3D hydrodynamic flow focusing for sorting. Herein, we designed a 3D hydrodynamic focusing sorting platform based on independent sheath flow-focusing and pressure-actuated switching. This design offers many advantages in terms of reliable acquisition of weak Raman signals due to the ability to precisely control the speed and position of samples in 3D. With a proof-of-concept demonstration, we show this 3D hydrodynamic focusing-based sorting device has the potential to reach a high degree of accuracy for Raman activated sorting.

scholarly journals Comparative Study of Silk Fibroin-Based Hydrogels and Their Potential as Material for 3-Dimensional (3D) Printing

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3887
Author(s):  
Watcharapong Pudkon ◽  
Chavee Laomeephol ◽  
Siriporn Damrongsakkul ◽  
Sorada Kanokpanont ◽  
Juthamas Ratanavaraporn
Keyword(s):  
3D Printing ◽  
Silk Fibroin ◽  
Biomedical Applications ◽  
Mechanical Stability ◽  
Three Dimensional ◽  
Structure Stability ◽  
3 Dimensional ◽  
Critical Technology ◽  
Box Structure ◽  
High Degree

Three-dimensional (3D) printing is regarded as a critical technology in material engineering for biomedical applications. From a previous report, silk fibroin (SF) has been used as a biomaterial for tissue engineering due to its biocompatibility, biodegradability, non-toxicity and robust mechanical properties which provide a potential as material for 3D-printing. In this study, SF-based hydrogels with different formulations and SF concentrations (1–3%wt) were prepared by natural gelation (SF/self-gelled), sodium tetradecyl sulfate-induced (SF/STS) and dimyristoyl glycerophosphorylglycerol-induced (SF/DMPG). From the results, 2%wt SF-based (2SF) hydrogels showed suitable properties for extrusion, such as storage modulus, shear-thinning behavior and degree of structure recovery. The 4-layer box structure of all 2SF-based hydrogel formulations could be printed without structural collapse. In addition, the mechanical stability of printed structures after three-step post-treatment was investigated. The printed structure of 2SF/STS and 2SF/DMPG hydrogels exhibited high stability with high degree of structure recovery as 70.4% and 53.7%, respectively, compared to 2SF/self-gelled construct as 38.9%. The 2SF/STS and 2SF/DMPG hydrogels showed a great potential to use as material for 3D-printing due to its rheological properties, printability and structure stability.

A Convex Complementarity Approach for Simulating Large Granular Flows

2010 ◽  
Vol 5 (3) ◽  
Author(s):  
Alessandro Tasora ◽  
Mihai Anitescu
Keyword(s):  
Granular Flow ◽  
Complementarity Problems ◽  
Particle Interaction ◽  
Granular Flows ◽  
Rigid Bodies ◽  
Integration Time ◽  
Frictional Contacts ◽  
Physical Experiments ◽  
Dense Granular Flow ◽  
Number Of Particles

Aiming at the simulation of dense granular flows, we propose and test a numerical method based on successive convex complementarity problems. This approach originates from a multibody description of the granular flow: all the particles are simulated as rigid bodies with arbitrary shapes and frictional contacts. Unlike the discrete element method (DEM), the proposed approach does not require small integration time steps typical of stiff particle interaction; this fact, together with the development of optimized algorithms that can run also on parallel computing architectures, allows an efficient application of the proposed methodology to granular flows with a large number of particles. We present an application to the analysis of the refueling flow in pebble-bed nuclear reactors. Extensive validation of our method against both DEM and physical experiments results indicates that essential collective characteristics of dense granular flow are accurately predicted.

The Use of Photogrammetry in Piping Design

1983 ◽  
Vol 197 (2) ◽  
pp. 125-138 ◽  
Author(s):  
P A Bracewell ◽  
U R Klement
Keyword(s):  
Information Retrieval ◽  
Mathematical Formulation ◽  
Three Dimensional ◽  
Cost Effective ◽  
Process Industry ◽  
Process Plant ◽  
Definition Of ◽  
High Degree ◽  
Positional Data

Piping design for ‘revamp’ projects in the process industry requires the retrieval of large amounts of ‘as-built’ data from existing process plant installations. Positional data with a high degree of accuracy are required. Photogrammetry, the science of measurement from photographs, was identified in Imperial Chemical Industries plc (ICI) as a suitable tool for information retrieval. The mathematical formulation enabling the definition of three-dimensional positions from photographic information is described. The process of using ICI's photogrammetric system for the definition of complete objects such as structures and pipes is illustrated. The need for specialized photogrammetric software for design purposes is explained. A case study describing how the photogrammetric system has been applied is described and graphical outputs from this exercise are shown. It is concluded that this particular photogrammetric system has proved to be a cost effective and accurate tool for the retrieval of ‘as-built’ information.

Cleavage Planes of Icosahedral Quasicrystals: A Molecular Dynamics Study

2003 ◽  
Vol 805 ◽  
Author(s):  
Frohmut Rösch ◽  
Christoph Rudhart ◽  
Peter Gumbsch ◽  
Hans-Rainer Trebin
Keyword(s):  
Molecular Dynamics ◽  
Brittle Fracture ◽  
Crack Propagation ◽  
Three Dimensional ◽  
Propagation Direction ◽  
Mode I ◽  
Dynamic Crack ◽  
Fracture Surfaces ◽  
Icosahedral Quasicrystals ◽  
Crack Tip Plasticity

ABSTRACTThe propagation of mode I cracks in a three-dimensional icosahedral model quasicrystal has been studied by molecular dynamics techniques. In particular, the dependence on the plane structure and the influence of clusters have been investigated. Crack propagation was simulated in planes perpendicular to five-, two- and pseudo-twofold axes of the binary icosahedral model.Brittle fracture without any crack tip plasticity is observed. The fracture surfaces turn out to be rough on the scale of the clusters. These are not strictly circumvented, but to some extent cut by the dynamic crack. However, compared to the flat seed cracks the clusters are intersected less frequently. Thus the roughness of the crack surfaces can be attributed to the clusters, whereas the constant average heights of the fracture surfaces reflect the plane structure of the quasicrystal. Furthermore a distinct anisotropy with respect to the in-plane propagation direction is found.

Sign in / Sign up

Export Citation Format

Share Document