Why YbF3 nanopowder color becomes gray or black after sintering?

YbF3 powder color becomes gray/black when I sinter at 400C or 500C or 600C even when I sinter with a cover on the powder. I am using Yb acetate as a Yb source. When I use Yb nitrate as a source,...

17 January 2018 4,716 6 View

TiO2 dispersion in Toluene

11 June 2017 9,024 3 View

Variables (q1, q2 and q3) in Gurson's Plasticity Model in Ansys?

What are the Tvergaard needleman constants in Gurson's basic plasticity model in Ansys which are represented by q1, q2 and q3? Can I use this model to define porous alloys for analysis? Also, I...

04 February 2014 2,280 4 View

Modeling and analysis of porous materials or foams in an FEA software.

Is there any way to model and analyze porous materials in any FEA package? I am investigating structural properties of NiTi foams using FEA.

10 November 2013 322 6 View

What information can be had from raman at higher wavenumber?

i have recorded raman spectra of strontium oxide thin film. the spectra were recorded in the range 400 to 4000 cm-1. i have reference to peaks upto 1000cm-1. but i couldn't find literature for...

26 February 2021 2,499 1 View

How can I find a Raman spectrum wavenumber corresponding to what compound?

I have several Raman spectra with very distinct peaks at certain wavenumbers, such as 277, 359, 466, 583, 623, 686, and 795cm-1. How can I identify them to what compound(s)? The RRUFF and others...

24 February 2021 363 3 View

How can I simulate the optical absorption spectrum of a biomaterial (like DNA or protein) in COMSOL?

I need to simulate the optical properties of a biomaterial, namely DNA, in COMSOL. Basically I need to simulate the IR absorption spectrum of a cylinder filled with a 'concentration' of DNA. I am...

21 February 2021 3,043 3 View

How to open an old ".MTS" file containing spectroscopic data?

Hi supreme hive-mind of the internet, we have some old *.MTS files that are supposed to contain spectroscopic data, probably some coordinates and a long list of single line spectra. Basically,...

16 February 2021 9,385 2 View

Could we interpret the intensity of the peaks of the FTIR spectrum correlating to the concentration of some compound?

If we analyze the extract of two plants from the same species (for example) and there are very similarities between the two IR spectra except for the intensity of one peak at the same wavenumber....

05 February 2021 2,630 5 View

Identical spectra for L- and D-peptides after they self-assemble?

Hi dear all, I need advice. I have two peptides with the same sequence but one consists of L-amino acids only and the other consists of D-amino acids only. when they self-assemble in aqueous...

03 February 2021 2,032 3 View

What does the intensity of peaks in FTIR spectrum indicates?

Is it possible to conclude that increasing the intensity of FT-IR peaks represents an increment of functional groups or interaction between functional groups? Any suggestion would be highly...

20 January 2021 7,683 3 View

How to measure abundance in an LC-MS/MS experiment?

Is the chromatographic peak a valid measure of a compounds` (relative) abundance in LC-MS data? We have recorded three MS/MS spectra; their retention time falls into a specific chromatographic...

13 January 2021 6,685 6 View

How to calculate IR and RAMAN spectra form Born charge ?

I am using crystal 17 for my solid state ab initio calculations. For some reason the program is not able to produce the Raman spectra but have generated born charges. Is there any way to produce...

11 January 2021 2,317 2 View

Is it possible to predict the conformations of the molecule in the solution based on quantum-chemical calculations?

Hello, everyone and thanks for helping me. My question is: I have a metal complex that has several possible conformations. I need to calculate what conformation is the most plausible in different...

08 January 2021 831 3 View