Why different metals have different crystal structure?

09 September 2014 0 5K Report

In transition metals, elements have almost similar size and but still they form different crystal structures. what dominates a particular structure (radius ratio is not applicable),

Badges
Science topic

More Gourav Shrivastav's questions See All

In plumed, is it possible to access the atoms index (for a given CV) in bias section?

How can we access the information on the atom indexes involved in a given collective variable. I can see that it is possible to access this information in colvar and analysis classes. But is it...

03 April 2019 7,259 2 View

In MD simulations, how to create buffering liquid–vapor interface at the top of the box with the help of a wall of purely repulsive particles?

1. What should be non-bonded interaction parameter for the atoms of the wall? 2. How to ensure its correctness? Thanks

10 November 2016 6,454 0 View

Reduction in speed while using ReaxFF forcefield on LAMMPS. Is there any specific reason for this?

I am simulating a system consist of ~2000 atoms. I have checked on different machines but the result is same. Any guidance will be helpful.

03 April 2016 2,272 6 View

How can I calculate triplet correlations using CUDA?

A simple GPU algorithm for finding triplet correlations accelerated on CUDA. Please follow the link.

04 May 2015 2,963 0 View

How to put distance constraint between two groups of atoms in LAMMPS package?

I have two groups of atom of moving particles. So how can I put the distance constraint, without making them rigid.

02 March 2015 5,744 0 View

What are the two oxidation states of sulphur in sodium thiosulphate?

Please explain with proper reasons... Thanks.

01 February 2015 6,758 7 View

How to draw a cone along a given vector?

please explain .

01 February 2015 6,067 0 View

How can I make a conical selection in vmd?

What are the general equations for a conic selection. I want information about the atoms present in a conic volume of given radius and height. Please explain.

01 February 2015 1,864 3 View

What are the two oxidation states of sulphur in sodium thiosulphate ?

In thiosulphate, two sulphurs have oxidation state of -2 and +6. (as per suggestions). Sulphur bonded to three oxygen is considered to have +6 (Sulphur A) and other sulphur has -2 (Sulphur B)....

01 February 2015 4,473 7 View

Why neighbour list is not building on GPU in LAMMPS ?

I am using Nvidia's K20x cards on my machine. I am facing some problems in using lammps gpu enabled version upto its full efficiency on GPU-node. The main role of the gpu is to save the time...

01 February 2015 3,795 1 View

• What the possible Persistent Organic Pollutants and Heavy metals present in fluorspar, sediments, and water bodies around its mining area?

Approximate concentrations are require in compared with the WHO permissible limts

11 August 2024 2,723 1 View

How to understand this crystallographic phenomenon of low temperature crystals in zeolite?

During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...

06 August 2024 726 3 View

Do you know best conditions for formation of best REE deposits?

I want to know more about REE deposits.

03 August 2024 6,930 2 View

How can I find access to heavy metal reference doses from the EPA and WHO websites?

Reference dose and Maximum acceptable concentrations HMs

03 August 2024 8,230 4 View

Where can I find free research instruments for Nursing?

for eg. transition shock scale

01 August 2024 5,998 0 View

What is the best conditions for formation of REE ore deposits?

I want to know more about REE deposits.

31 July 2024 7,366 1 View

Why Powder XRD is performed after cruhsing a crystal if Single Crystal XRD analysis of the same crystal has been performed already ?

What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?

30 July 2024 6,261 4 View

Simulation of metal drawing by Abaqus with UMAT?

Hello, colleagues. Recently, I have been working on a metal processing simulation with my UMAT in Abaqus. I have outlined the corresponding simulation, but I keep encountering issues that cause...

30 July 2024 7,062 1 View

How to make the concentration measurements for the hydrogen absorption/desorption in the metal hydride?

Hello Everyone! I am trying to create a metal hydride system where I am trying to create a temperature control with the emphasis on measuring the concentration of the hydrogen with the hydrogen...

29 July 2024 7,577 2 View

How to know the b axis of a single crystal?

How to apply magnetic field parallel to b axis of any crystal

29 July 2024 4,083 2 View