About Input factors which has chosen for wear examination?

1. Why 5, 10 and 15% of SiC was chosen? any base reference paper related to it. Why not below 5% is to be included. 2. What will be the result if the % of SiC is reduced less than 5% in wear...

27 October 2020 6,635 2 View

How can we cut the most intense peak of an XRD pattern so as to magnify the minor phase peaks?

05 May 2020 7,005 2 View

How to do Openshell singlet calculations in Gaussian?

I have a system with a diradical character. I want to know whether it is triplet diradical or singlet diradical. How we can do that in gaussian?

31 March 2020 6,691 5 View

Hi, Could anybody suggest how can i determine the nature of FMOs of a molecule?

In detail, I want to know whether the HOMO of my molecule is either bonding or anti-bonding in nature? Please suggest me the software or code that can give the percentage of the antibonding...

15 March 2020 6,670 3 View

How to calculate melting point from Molecular Dynamics free energy calculations?

Am trying to calculate melting point of Silicon based on free energy methods in LAMMPS, I want some literature/theory for calculation of reference system free energy i.e. Einstein crystal for...

16 January 2020 840 3 View

For an HPLC System, spectrum bandwidth mentioned as 8 nm. How to calculate this spectrum bandwidth?

Most of the HPLC Brochures/Specifications sheet mentions 'spectrum bandwidth' as 8 nm. But, how to calculate this one. Please suggest.

12 December 2019 4,770 3 View

Why is my calculated specific surface energy is wrong?

I want to calculate specific surface energy of [111] surface of Nickel. Code: units metal dimensions 3 boundary p p p atom_style atomic lattice fcc 3.52 orient x -1 -1 2 orient y 1 -1 0 orient z 1...

03 September 2019 9,713 3 View

Is there any Alternative for Sodium Naphthalene Sulfonate?

I am looking for alternate to SNF's (Dispersing Agent). The present one is in yellow colour and I am looking for the similar type of Dispersing agent in white colour.

29 August 2019 7,921 1 View

Why is my temperature is not reaching to target temperature?

I want to calculate cohesive energy of fcc system at room temperature and 0 pressure. So I used following code for NPT. CODE: units metal velocity all create 100 87287 mom yes rot yes neighbor 2.0...

27 August 2019 5,116 3 View

How to keep reference in predictor variable and outcome variable in multiple logistic regression analysis by using EPI INFO 7 Software?

HI, I am analyzing data related to a project entitled "Assessment of stigma, fear and discrimination among healthcare workers towards PLWHIV". We are planning to associate socio-demographic...

21 April 2019 1,615 2 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Irradiation data for JAPAN?

Hi, Could you help me to get the latest (2019, 2020) solar resource data for a particular site in JAPAN? PV GIS and NSRDB data are not in reach to JAPAN, I'm looking for some other database for...

03 March 2021 961 3 View

Could anyone tell me what is the range of submillimeter wave?

There is confusion regarding the submillimeter-wave range. Many papers specify its range from 300GHz but some also consider its range from 100GHz. If I design an antenna on 122ghz what would I...

01 March 2021 516 7 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

Complex wave form in ANSYS?

Is there a way to input wave speed in a complex form on ANSYS? The wave speed I need to assign a material is 325(1+0.11i) however I have been unable to do this thus far. Failing that, is there...

27 February 2021 5,969 1 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

Why do the air flow results vary totally when adding scalar in CFD ?

Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...

25 February 2021 9,602 4 View

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 View

Steps to calculate activation energy by coats & redfern method?

I'm a chemistry student and I'm researching the kinetic degradation of mixed plastic waste. I'm having trouble calculating the activation energy by the coats & Redfern method. The data that...

24 February 2021 974 1 View

Could you please suggest to me research in which a relation between the shear wave velocity and the degree of saturation for stone was discussed?

Hi all, I am looking for a graph or a relation that relates the degree of saturation and the shear wave velocity for the marlstone. Looking forward to your suggestions Best Regards

24 February 2021 9,690 1 View