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Questions related from Ma Zhaoyang
I am currently studying the nanoindentation of solids; currently I can obtain the Young's modulus and hardness of the solid material. However, I wanna observer the deformation process (especially...
12 December 2018 2,696 2 View
Dear all, I have alpha-quartz powders and I did 3 hours XRD scan for these powders both at 30 degrees Celsius and 450 degrees Celsius (there exists no phase transformation at this temperature)....
07 July 2018 8,923 3 View
I want to get the thermal expansion coefficient of each mineral in a rock using high-tempearture X-ray diffraction (XRD); how can we achieve that using TOPAS software, since there will be peak...
05 May 2018 6,207 0 View
In rock engineering, what's the definition of void and what's the relationship between void and fracture? For example, if I adopt molecular dynamics simulation to simulate the void in rocks...
03 March 2018 8,417 0 View
In order to gain the thermodynamics, elasticity, phase transitions properties, the molecular dynamics simulation of rock minerals (say crystalline mineral) can be performed and in this process,...
02 February 2018 7,568 3 View
How to generate animation movies using OVITO (scientific data visualization and analysis software for atomistic simulation models)? I already performed the molecular dynamics simulation of...
02 February 2018 5,198 3 View
As a new beginner, how to learn the software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) faster?
01 January 2018 3,018 0 View
Why foam fracturing is less popular in enhanced geothermal system compared with shale gas/oil production systems? Since foams possess high apparent viscosity which is good for suspending...
12 December 2017 1,604 3 View
I read one article and it refers "clays display a significant buffer effect with regard to chemical perturbations. The thickness of the clay that is chemically perturbed by the disposal facility...
12 December 2017 9,603 1 View
Any idea/suggestion about using molecular dynamics simulation about transport and geomechanical fate of proppants?
12 December 2017 1,056 3 View
The impact of degree of saturation on the mechanical and transport properties of clay are still open at microscale, I want to know how to characterize/represent the degree of saturation in...
12 December 2017 963 2 View
I wanna model the proppant placement in the hydraulic fracture using molecular dynamics, but I am the beginner of MD, I read some articles about the modelled shape of research object (mainly,...
12 December 2017 8,274 5 View
As we all know, the proppant sizes are generally between 8 and 140 mesh (105 μm-2.38 mm). The mesh size is the number of openings across one linear inch of screen. When describing the size of the...
12 December 2017 5,654 1 View
I wanna make a timeline as shown in the pictures, can anyone recommend some free and handy software?
11 November 2017 4,925 2 View
"Molecular Dynamics (MD) simulation methods that are widely used for proteins, DNA and polymers are based on Cartesian coordinates owing to the mathematical simplicity of the equations of motion....
11 November 2017 517 5 View
During the molecular dynamics simulations, if we do not know to choose which potential functions (force field), what should we do? How to choose the correct force field (aka, inter-atomic potentials)?
11 November 2017 3,538 8 View
Both phase field model and molecular dynamics simulation method can be adopted to simulate the fracture propagation, what's the difference between them and what's the advantage and disadvantage of...
11 November 2017 8,460 3 View
What's the molecular statics and what's the difference between molecular statics and molecular dynamics? In general, molecular statics can be used to simulate what?
11 November 2017 6,111 2 View
The multi-barrier concept is adopted and applied for different types of radioactive waste. In principle, the multi-barrier consists of three successive barriers: waste packages, the engineered...
11 November 2017 1,564 3 View
I read the article "A Comprehensive Model for Investigation of CO2-EOR with Nanopore Confinement in the Bakken Tight Oil Reservoir" and it refereed " CO2 injection is an effective enhanced oil...
11 November 2017 6,386 8 View
Because the nanopores have a great significance to the fluid flow (flow pattern, flow velocity, etc) and heat transfer, cause I wanna investigate the fluid flow in nanopores of granite at enhanced...
11 November 2017 7,610 2 View
In computational materials science, there are two distinct methods for describing atom–atom interactions, namely: (a) Ab Initio Molecular Dynamics (AIMD), and (b) Classical Mechanics (hereafter...
11 November 2017 5,802 4 View
I found some articles related to molecular dynamics (MD) simulations in the journal "International Journal of Non-Linear Mechanics", we all know that the nonlinear failure criterions are more...
11 November 2017 876 1 View
Currently, due to the limitations of continuum methods, discrete methods become increasing popular, however, to the best knowledge of mine, it seems that molecular dynamics is not prevalent in...
11 November 2017 4,763 6 View
I currently read some articles about molecular dynamics simulation, since most rock and metals can be thought to be polycrystalline materials. My question is what's the difference between them...
11 November 2017 8,264 3 View
I read one paper ""Recent progress in adaptive multiscale molecular dynamics simulations of soft matter" and it occurs to me is rock soft matter?
11 November 2017 7,086 1 View
I read some articles about the molecular dynamics simulation, in which some simulations adopting the reactive force-field while other simulations using the non-reactive force-field, so what's the...
11 November 2017 9,799 8 View
I read some articles about using molecular dynamics to simulate the grain growth of nanocrystalline material, mainly Ni, so here is the question: Are rocks nanocrystalline material?
11 November 2017 3,158 4 View
I read one article Propane simulated in silica pores: Adsorption isotherms, mol... and it refers to "Molecular dynamics simulations were conducted for bulk propane in contact with fully...
11 November 2017 620 3 View
Because molecular dynamics simulations are hindered by its length scale and time scale, I wanna know what's the biggest number of atoms that current computers/clusters can performed or any...
11 November 2017 5,011 6 View
Both lattice dynamics (LD) and molecular dynamcis (MD) can be adopted to simulate/model crytal structure, thermodynamcis and atom transport, what's the difference between two methods? what's the...
11 November 2017 2,058 3 View
I read one paper Atomistic Molecular Dynamics Simulations of Shock Compressed Quartz and I wanna know what's the usage of shock wave compression? I mean what this method can normally be used for...
11 November 2017 8,136 2 View
What's the difference between advective movement of gas and diffusion of gas in high-level radioactive waste (HLRW) disposal? In a deep geological disposal facility for radioactive waste,...
11 November 2017 3,801 3 View
EGS technologies can function as baseload resources that produce power 24 hours a day. Unlike hydrothermal, EGS may be feasible anywhere in the world, depending on the economic limits of drill...
11 November 2017 8,363 3 View
What's the relationship between particle model and molecular dynamics?
11 November 2017 6,060 3 View
Granitic rocks such as granite and diorite are a widely acceptable site for nuclear waste disposal and are also main rock types of HDR reservoir. Diorite reserves may be much larger than that of...
11 November 2017 1,111 2 View
What‘s does non-linear mechanics mean? Any examples of this concept? How to characterise the non-linear mechanics in rock engineering, are they any typical problems of non-linear mechanics?
11 November 2017 645 8 View
What's the difference between hydrodynamics and thermodynamics? Are there any relationships between them?
11 November 2017 5,591 3 View
What's the difference between kinetic model and molecular dynamics model? It's possible using molecular dynamics methods or software (LAMMPS) to model the kinetics of a system?
10 October 2017 1,516 2 View
As it said in title, currently I wanna simulate the impact of heterogeneity on the migration behaviour of rocks (shale, mud-stones) at the nano/micro scale using molecular dynamics methods, any...
10 October 2017 2,553 0 View
I am new to the molecular dynamics simulations (using LAMMPS to simulate fracture propagation of rocks) and one teacher ask a question about the validation of MD simulation. It is necessary to do...
10 October 2017 7,585 3 View
I read some papers about simulation of condensed matter using molecular dynamics (MD) methods, and I wanna perform MD simulation to mimic rock behaviour, so here is the question, is rock mineral a...
10 October 2017 3,146 3 View
By “first-principles” one understands the use of the fundamental quantum mechanical laws of nature and nothing else. While molecular dynamics simulation can simulate the problem of atomic or...
10 October 2017 6,265 5 View
Hi, I am a beginner of LAMMPS, anybody who has suggestions which operating system is better for learning LAMMPS? Many thanks!
09 September 2017 8,058 3 View
