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

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

Do anyone here can help us in the field of molecular docking?

We have synthesized various metal complexes with different environment around the metals. Now to see the application of synthesized complexes we need this study also. we are also interested in...

01 March 2021 1,899 2 View

Analysis of CRD two factor using R studio ?

Hello everyone. I have conducted the research on post harvest longevity of tomato crop using plastic packaging and different doses of chemicals as two different factors. The design of experiment I...

28 February 2021 8,189 3 View

What is the exact mechanism of the antimicrobial effect of local anesthetics?

The antimicrobial effect of local anesthetics has been known for more than 50 years, but it still seems to have an unclear mechanism of action. which bacteria? which concentration? etc etc. ....

27 February 2021 4,450 2 View

How can I selectively dry etch Ti on a polymer substrate?

24 February 2021 5,378 1 View

Resistivity of PVD TiNx thin films vs. N2 flow?

In the PVD of TiN thin films (~100A), I've found the resistivity of the TiN films dropped from ~100 to 60um*cm with N2 flow increasing up to the metallic mode ending point; then the resistivity...

21 February 2021 1,864 2 View

What are your alternative data collection methods during the pandemic? What are the pros and cons?

Dear colleagues We are exploring possible data collection methods for environment and behavior research in the context of architectural environments. Have you conducted any Post Occupancy...

16 February 2021 2,575 4 View

Can bio-decomposer be a successful alternative to reduce residue burning?

To maintain the proper crop plan most of the times there is not enough time to make the field ready for the next crop. In this particular context , can bio-decompser be a solution? What about...

16 February 2021 7,068 24 View

Is there any effective FEM solver to perform simulation of balloon inflation with large deformation (e.g. 300% strain)?

Hi! Thank you for your time, attention, and support. I am currently using FEM solver Abaqus to perform a set of balloon inflation simulations, trying to understand the deformation shape, stress,...

14 February 2021 2,524 4 View

Submission of the Materials Studio jobs to the remote Linux cluster?

I am doing some simulations using the Forcite module in Materials Studio. As the speed of this calculation on my workstation computer is unacceptably slow, I am trying to submit my job to the...

14 January 2021 8,653 1 View

Installing CASTEP on Windows10 using Cygwin?

I am trying to install CASTEP on windows 10 using cygwin but no success did anyone do this before? Thank you

05 October 2020 7,320 3 View

Is there any way to separete the band at H point in the following picture?

Its a band structure of germanium where I see CB and VB are connected through H to K points. I want them to be connected only in one high symmetry point. What are the parameters I need to change...

25 September 2020 9,413 3 View

Is it possible to run a doped system in CASTEP without creating supercell structure?

I was run a doped system in CASTEP without supercell and it was successfully optimized. But, I am not fully understood when I have to create a supercell. The unit cell I had used contain 28...

06 July 2020 7,657 2 View

How can I model & simulate quantum dote thin films using CASTEP with different tail parameters?

A QDSC solar cell design that uses quantum dots as the absorbing photovoltaic material. It attempts to replace bulk materials such as Si, CIGS, CdTe ... etc. Quantum dots have bandgaps that are...

16 March 2020 1,986 4 View

How can deposit a molecule on graphene by CASTEP ?

I want to know the stages of depositing a molecule on the surface of graphene with a CASTEP

01 February 2020 10,014 1 View

How can I do the Magnetic calculations using CASTEP code as ferromagnetic system , anti-ferromagnetic system ?

with a CASTEP

01 February 2020 1,612 4 View

How to Change Pressure and Temperature In CASTEP?

Seniors please guide me how can I change the pressure or temperature in castep.. I want to calculate the band gap by changing of pressure (temperature)...

04 May 2019 8,565 5 View

Can someone please help with calculating the Cohesion energy and Ethalpy of formation?

Dear CASTEP users, I want to determine the chemical stability of the alloy I model using CASTEP by calculating the cohesion energy and the enthalpy of formation from the data calculated. I used...

03 April 2019 9,260 2 View

Which software can visualize the NMR tensor with three arrows?

Dear colleague: I have calculated the NMR chemical shift by CASTEP, and then I want to analyze the NMR tensor of some atoms in my structures, I can visualize it by magresview with...

28 January 2019 6,388 3 View