How to construct different filler shape in MD simulations?

Is there any way to construct different initial filler shapes like triangle, square, rectangle, pillar, and tube in any simulation software.

20 February 2021 1,750 1 View

How to perform Charge discharge in Pine instrument?

i want to do GCD study of specific material in a specific potential let discharge from 1.0V to 0.2V and again Charge it to 1.0V. How to perform this experiment using pine instrument?

03 January 2021 9,784 1 View

Relation between bond energy per atoms with the number of bonds?

In experimental, the bond energy per atom rises quadratically with the number of bonds then why in simulations this bond energy per atom rises linearly with the number of bonds per atoms?

21 September 2020 5,818 3 View

Calculation of surface energy components from MD simulation?

Is it possible to estimate the polar and dispersive surface energy components from MD simulation?

15 June 2020 7,214 1 View

How to efficiently do the Comparative Genomics of 400 genomes of large size? I want to reduce this dataset to an exhaustive list. Any advice please?

I have to do the comparative genomics of the various genomes present on NCBI for Xanthomonas Oryzae species. I am having major issues in that. I don't have any programming experience, per se. I...

06 March 2020 1,027 3 View

How to calculate the specific capacity (C/g) from CV and GCD curves for the symmetrical battery type supercapacitor device?

Hii, I want to calculate the specific capacity (C/g) from CV and GCD curves for a symmetrical battery type supercapacitor device. So, can any one please help me in this regard. Thanks in advance.

10 September 2019 6,875 4 View

Please suggest any possible industrial applications of isotactic poly vinyl acetate and poly vinyl alcohol?

Though atactic polymers of PVAc and PVA are more versatile than isotactic polymers, but is there any end applications of such polymers ?

22 July 2018 3,579 4 View

Is it ok to use unpaired t test in my case?

I have the results from an experiment . The groups are 1. Saline 2. Treatment 3. Saline + X inhibitor 4. Treatment + X inhibitor In previous experiments, treatment had a remarkable effect....

01 April 2018 7,392 3 View

Is there any alternative to Gold for capping metal contacts made with Copper to prevent oxidation?

Can we make Rhuthenium as a capping for copper instead of Gold

22 February 2016 8,643 3 View

Whether clustering can be applied for a 3D data set for classification?

13 January 2016 4,459 6 View

Does the pressure(-600 mmHg) affects pH?

When I conducted the degassing experiment using decompression under anaerobic condition(and I used ferrous based chelating agent), the oxidized ferric were observerd. So, could you tell me the...

03 March 2021 4,892 5 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

I need to image mesoporous silica nanoparticles that are in ~100 nm size and do high resolution TEM to look at mesopores. what grids should I use?

Need to image mesoporous silica nanoparticles using the TEM. Also, need high resolution TEM images to see the mesoporous structure. Kindly suggest what kind of grids to use. Thanks, Shatadru

02 March 2021 1,787 2 View

How do I determine the degree of polymerization of PEG 400 based on NMR integration?

Hello, I am working on the photocatalytic degradation of PEG 400. I would like to know if it's possible to determine the degree on polymerization based on NMR integration, or by the MW of the...

02 March 2021 6,186 3 View

Do you know any MR image dataset?

I would like to research on MR images (0.5T and 3T). Can you please suggest some websites that I can download dataset including both 0.5T and 3T MR images? Thank you.

02 March 2021 7,735 3 View

Can chitosan alone can act as a reducing agent for Cu(0) nanoparticle sythesis?

[Synthesizing Cu nanoparticles without using chemical reductants]

01 March 2021 8,359 1 View

What are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

What is the state of the drug inside solid lipid nanoparticles (SLNs)?

I am a little confuse with the mechanism of solid lipid nanoparticles (SLNs). The main point of encapsulating drugs into SLNs is because some drugs have low solubility in water. Therefore, SLNs...

01 March 2021 3,703 3 View

How to check the uv-vis absorption of nanoparticle by surface plasmon resonance?

I try to check the uv-vis absorption of Indium nanoparticle. Now I am measuring in solution, can I measure it in the form of a film?

01 March 2021 930 3 View

Distribution of particles in metal matrix?

How would define the "good" and "poor" distribution of particles within the matrix. Is there a quantitative solution to assess the distribution of the particles, which then having denotation of...

28 February 2021 7,397 8 View