As a new beginner, how to learn the software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) faster?

01 January 2018 0 3K Report

Badges
Science topic

More Ma Zhaoyang's questions See All

How to illustrate/characterize the deformation (e.g. plastic deformation) after the molecular dynamics simulation (post processing)?

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...

11 December 2018 2,635 2 View

Is the attached Rietveld refinement for silica done by TOPAS publishable?

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)....

06 July 2018 8,849 3 View

How to calculate the thermal expansion coefficient of each mineral in a mineral mixture using TOPAS software?

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...

04 May 2018 6,134 0 View

In rock engineering, what's the definition of void and what's the relationship between void and fracture?

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...

02 March 2018 8,355 0 View

What's the relationship between molecular dynamics and lattice dynamics?

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,...

01 February 2018 7,506 3 View

How to generate animation movies using OVITO (scientific data visualization and analysis software for atomistic simulation models)?

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...

01 February 2018 5,092 3 View

How to characterize the degree of saturation in molecular dynamics simulation?

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...

11 December 2017 886 2 View

What does chemical perturbation means?

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...

11 December 2017 9,533 1 View

Any idea/suggestion about using molecular dynamics simulation about transport and geomechanical fate of proppants?

11 December 2017 989 3 View

Why foam fracturing is less popular in enhanced geothermal system compared with shale gas/oil production systems?

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...

11 December 2017 1,558 3 View

Why should we choose deep learning to machine learning? Why is CNN better for image classification? Can I get Typical Answer?

What Characteristics makes CNN work better?

03 March 2021 1,458 4 View

What are some of the research gaps in machine learning and artificial intelligence in africa?

i would to know some of the research gaps in the artificial intelligence field in most african countries.

03 March 2021 6,145 3 View

Anyone plz suggest relevant topic for research in image processing+Deep learning.?

I have selected brain tumor images ...but now found that already lots of research done n this topic.

03 March 2021 5,774 3 View

How to increase a model accuracy ?

dear community, my model is based feature extraction from non stationary signals using discrete Wavelet Transform and then using statistical features then machine learning classifiers in order to...

03 March 2021 6,994 5 View

Can you share me how teacher education is managed in your respective national educational system?

I feel that the practice in teacher education in my country is below the expected performance level due to very poor management system. Hope I will learn something from your experiences.

02 March 2021 1,516 4 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View

Can NFL theorem be valid in infinite search space in ML?

NFL theorem is valid for algorithms training in fixed training set. However, the general characteristic of algorithms in expanded or open dataset has not been proved yet. Could you show your...

01 March 2021 1,189 3 View

How can I integrate a routing protocol in a tiny device (e.g. Raspberry Pi)?

Hi Community, I'm facing the issue of integration/compiling a new routing protocol in a WSN simulator. The final goal is to successfully add, configure this routing protocol in hardware devices...

01 March 2021 9,332 6 View

What is the difference between L1 and L2 regularization in machine learning?

L1 and L2 regularization

28 February 2021 4,187 3 View

How to model the battery pack in PSIM or PSCAD?

Hello, I have simulated a single battery cell using Thevenin equivalent circuit. For a battery pack, I have a large number of cells connected in series and parallel connections. Is there any way...

28 February 2021 2,116 1 View