How or where can I get the crystallographic information file (CIF) for PCN-222 MOF?

I need the simulated XRD pattern of PCN-222 to compare with experimental data. Thanks.

19 February 2021 4,932 3 View

How to read a flow cytometry graph detailing cell cycle?

Hello everyone, When determining cells in different stages of the cell cycle, cells are stain for Brdu and Propidium Iodide. I understand how PI can be used to discriminate between G1 and S/G2...

18 February 2021 3,920 3 View

How to improve NHBE adhesion after subculture?

I'm trying to subculture NHBE cells from Lonza, however, the cells seem to not adhere to the new flasks after detachment. I've followed Lonza detachment protocol (2 mL/25 cm2 of Trypsin 0.05% and...

10 February 2021 196 1 View

How to perform Potential Surface Energy Exploration (PES) calculations?

I would like to receive help, as I am trying to make an analysis of the ethanol PES, but the calculations are always giving error. I use the conda-forge version of xtb (* xtb version 6.3.2...

04 January 2021 602 2 View

How can I obtain the expansion orbital coeffiecients in Hartree Fock program?

23 December 2020 6,756 3 View

4D rotations and rotors.. can a general expression be derived?

I recently asked in math stackexchange a question regarding 3D rotations in geometric algebra https://math.stackexchange.com/questions/3922021/angle-and-plane-of-rotation-in-3d-geometric-algebra....

07 December 2020 5,630 26 View

How to determine Forster radius of a FRET pair?

Dear all, I'm searching for methods to calculate Forster Radii of FRET pairs, ideally for water-soluble and membrane dyes. Although I am relatively familiar with working with microscopy FRET, I am...

07 December 2020 3,051 3 View

Can an algorithm come into control and possession of data without the knowledge of or input from a human programmer?

Keeping in mind the adage on machine learning: data in, data out. I am curious whether there are neural network algorithms that could allow an algorithm to control and possess data on its own...

30 November 2020 860 11 View

What is the relationship between induction machine stator reactance variation and slip?

It is possible to notice, at some three phase induction machine datasheets, that exists a relationship between stator leakeage reactance and slip, that is, the stator leakage reactance increases...

23 November 2020 2,949 3 View

How to compute pressure drop on liquid ammonia line?

I have to analyze an existing ammonia line to estimate the pressure drop in it. The line is designed to transport liquid ammonia. I can compute the pressure drop with standard friction factor...

21 November 2020 5,494 3 View

How do you integrate the 'friction' variable Xi in the Nose - Hoover Thermostat in order to apply it to a molecular dynamics simulation?

Everything tells you the derivative of Xi, but not how integrate the value to implement it into a simulation. How do you do this?

21 February 2021 6,481 1 View

How to implement boundary conditions in Abaqus contact problems?

Hello I am trying to simulate crawling motion of a bilayer beam using Abaqus. Kind of similar to this: https://youtu.be/os-Z3ucoFpA I am using multiphysics enabled (diffusion, deformation,...

20 February 2021 2,916 1 View

How to combine two geometries in LAMMPS ?

I am trying to simulate contact angle of water on a quartz slab using LAMMPS. I have created and equilibriated the quartz slab and the water cluster separately. Now I want to create a composite...

17 February 2021 5,884 2 View

How to mesh complex geometry?

I have been trying to mesh some complex geometry and have been having issues. I have attached images of the geometry in question. This structure is very large in size but has some comparatively...

05 February 2021 6,379 5 View

When to use Darcy or Fanning friction factor in frictional pressure drop measurement?

04 February 2021 6,174 3 View

Please recommend me the proper steps (blocking method) to generate Hexahedral mesh of the following geometry inside ICEM-CFD?

I am facing an issue while blocking for the geometry mentioned in the image. After blocking it ends with a triangular block due to its shape. How to create a hexahedral mesh for this geometry in...

02 February 2021 888 1 View

Which is the best software for the simulation of tribological properties of materials?

I want to simulate the tribological properties of solids, liquids, and fluids, please suggest good software.

02 February 2021 3,947 3 View

How to find nature of extremum of a functional? what are the mathematical prerequisites to understand it?

For a function, usually sign of second derivative (and if it is zero, even/odd index of higher order derivative whose numerical value is zero) is enough to detect whether the extreme point is...

25 January 2021 7,703 3 View

ASTM or ISO standard test for duplex coatings?

Dear all, I would like to conduct scratch and linear reciprocating tribo-test on my magensium alloy, which has a plasma electrolytic oxide (PEO) layer of about 20 um and 10 - 20 um of Parylene...

25 January 2021 9,709 2 View

Frequency calculation with TDDFT???

Hi, I have been trying to calculate the frequency vibrations of the excited state S1 of an organic molecule (24 atoms). The geometry optimisation of the excited state converged smoothly howerver...

22 January 2021 1,463 3 View