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

How can I compute the distribution of dipole moment as a function of the angles between the dipole vector and solid surface through Lammps command?

I want to plot the distribution curve of dipole moment as a function of angles between dipole vector and solid surface in the presence of external electric field. My system is consisting a...

17 January 2021 1,508 4 View

How to dissolve PVDF in DMAc solvent?

I need to dissolve 1.5gm of PVDF tablets (from Sigma ALdrich) in 25gm of n-n DiMethyl Acetamide (DMAc) solvent. I have stirred the solution for 2 hours using magnetic stirrer and it did not seem...

02 December 2020 1,777 3 View

what are the possible reasons for Crop Water Stress Index values higher than 1 under moisture stress condition?

I have determined CWSI using the theoretical approach of Jackson et al., (1982) based on canopy temperature measurement in chickpea. at the final stages of crop growth some of my values of CWSI...

28 October 2020 9,992 3 View

Hello to all the eminent researchers. I need an insight of how to analyze the performance of PEM cell using machine learning?

I have a PEM cell dataset, and I want to plot the degradation curve or polarization curve using machine learning algorithms. How can I approach in this regard. I have to design an algorithm to do...

18 October 2020 7,909 2 View

How can i increase biomass of my E. coli culture to better plasmid yield?

Hi everyone, I want to increase the biomass of my E. coli culture for better plasmid yield. Use of different strains of cells and media or any other suggestions are welcome. Thanks!

11 October 2020 6,400 3 View

Has chemistry Nobel Prize really become the biology prize ??

07 October 2020 8,119 6 View

How can I confirm that a gene is downregulated in cancer cells through PCR?

A particular gene (gene A) is reported to be downregulated in cancer cells as compared to the normal cells. How can you prove this with the help of PCR?

27 September 2020 5,292 4 View

Can anyone please enlighten me, that what are free in silico toxicity prediction software/s available for academic purpose ?

Free toxicity prediction software based on genetic algorithm and deep learning of some training dataset #toxicity #Freesoftware #insilico #Deeplearning

30 August 2020 7,950 4 View

Is There Any Feasible Method To Test Fluorescent Compounds Other Than Fluorescence Spectrometers ??

Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !

02 March 2021 5,785 3 View

No title

01 March 2021 3,905 5 View

What test should I use to compare two or three means, if data is not normally distributed but sample size is > 30 in each group?

I personally feel this as a most confusing question. As per my understanding, if sample size is > 30, and sample is skewed, we can still use paramteric approach, as it will follow Z...

01 March 2021 1,587 6 View

Why initial concentration of Pb not the same as calculated one when testing using AAS?

I am currently doing research on the adsorption of heavy metal using magnetic reduce graphene oxide. I use AAS to determine the concentration of the heavy metal. I prepare the Pb solution with...

26 February 2021 9,580 4 View

Sample size determination for non-parametric tests?

How do I run a a priori sample size determination for non-parametric tests, like the Mann-Whitney U-test and the Kruskall-Wallis or other non-parametric tests that accord with the unpaired t-test...

24 February 2021 166 6 View

How to determine a priori sample size for t-test with unequal means?

I need to conduct a a priori sample size determinations for t-test with unequal means, but I don't know the sizes of the groups nor the ratio of both groups... Can I do a sample size determination...

24 February 2021 8,289 3 View

What are alternatives to factor analysis for a small sample?

My sample size is too small to conduct a factor analysis. I created my own psychometric scale for measuring Effectiveness of Support, which contains 38 items (4 sub-scales) Im really struggling...

23 February 2021 9,287 12 View

Is this the write procedure for acid digestion of soil for heavy metal analysis using AAS?

How to do acid digestion of soil sample with 3:1 aquaregia in an open vessel?

23 February 2021 3,053 7 View

Missing Data in Pretest and Post test- Experimental Research design?

Hello all, I am analyzing some pretest and post-test data that were given to evaluate knowledge of targeted vocabulary before and after the intervention. Pretest and post-test are identical and...

23 February 2021 9,400 7 View

Is there any software or formula for sample size determination by using sensitivity and specificity?

I want to conduct research on the diagnostic performance of some tests. I want to calculate sample size by using the sensitivity and specificity of the test in the previous studies. So Is there...

23 February 2021 619 5 View