There is intensity relation of fundamental and overtone peaks in raman spectrum?

08 September 2017 1,320 4 View

Does stress in crystal influence on NMR relaxation time of of atom nuclear?

03 April 2017 8,786 0 View

How to set the EPR-spectrometer into the regime of registration of absorption signal?

We are working with EPR spectrometer Radio-pan H102. We use ruby in the role of reference. If we determine well regime of registration of absorption signal for ruby, then for studied sample, we...

31 December 2016 1,311 2 View

How to estimate concetration of bond responding for result Raman spectra for heterogeneous material?

What information i can get from Raman spectra if the sample is heterogeneous material, like detonation nanodiamond powder? We can get from RS spectra, for exaple, relative concentrations of...

01 February 2016 7,851 12 View

What mechanisms give g-factor shift relative to g-factor for free electron in EPR?

The g-factor for free electron is 2,002319. what mechanisms give the shift in g-factor. We have for Diamond the g-factor is 2,0027 for broken bond of C-C. For material from graphite (with...

01 February 2016 8,017 3 View

Which raman shift do C-H and H-H bonds have?

01 February 2016 2,911 0 View

About the surface defects of diamond?

10 November 2015 5,137 0 View

What is the origin of Raman spectroscopy peak at 4300 cm-1 in compact nanodiamond?

We study detonation nanodiamond by RS. Samples were recieved in form of powder. Then we press this powder under high pressure 8GPa and T=1800C and got compact detonation nanodiamonds, that then...

09 October 2015 6,195 6 View

What is the role of dislocations in the xrd pattern?

Hi there! In diamond sample with dislocations we saw lateral lines of line(220). These lines are not symmetry by intensity ( for three lines- lateral-central-lateral: 1012-2292-602) and position...

08 September 2015 1,405 4 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View

How to remove the residual PDMS on the silicon mold?

Incompletely cross-linked pdms are difficult to remove.

01 March 2021 798 3 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

How to calculate Z (the number of molecules in a unit cell) for calculating theoretical density?

I am trying to calculate the theoretical density of my ceramics materials. I use the formula below to calculate the theoretical density: Theoretical density = (Molecular weight x No. of molecules...

24 February 2021 3,823 2 View

How to search for crystal structure for material with atomic position labelled?

I am using the crystallographic open database and materials project to search for cif file but the exact structure is not mentioned or how can I deduce that the given structure and atomic position...

23 February 2021 6,723 2 View

Can't recognize exact phase and PDF card no of Silicon carbide in XRD?

We have deposited silicon carbide on carbon substrate using one PVD technique. Due to amorphous behavior of SiC at low deposition temperature, we performed heat treatment of those films at...

22 February 2021 2,072 3 View

How to formulate Energy minimization in Molecular dynamics simulation for alloys using meam potential?

during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...

22 February 2021 380 5 View

How to generate AA6061 alloy or any aluminium alloy crystal in material studio?

I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.

22 February 2021 1,410 1 View