How VASP perform selfconsistent noncollinear calculations?

Selfconsistent noncollinear magnetic calculations can be done in VASP. I am wondering how VASP update the spin directions at each local site. For molecular dynamics, VASP search the next...

16 January 2021 1,398 3 View

How to make sure self-ligation of a linear plasmid?

I want to ligate a linear 1.7kbp plasmid with the EcoRI sites at two sides, but when I use the quick ligase kit from NEB to test the ligation efficiency it is hard to ligate it. Is there anyone...

08 December 2020 3,442 3 View

Protein concentration decrease after dialysis?

Recently I have been involved in this problem: After expressed by adding IPTG, lysed with B-PER, and resolved with Buffer B (8M urea), incubate with Ni-NTA beads, everything looks fine. When I...

21 November 2020 7,416 3 View

How to fix the part overlap problem in Abaqus Explicit?

Hi, I was doing the Abaqus explicit model for a plain woven fabric where two types of yarns(PU&PA) were set as the weft and one type of yarn(PA) was set as the warp. When the load applied to the...

10 September 2020 1,164 2 View

How to gain the access to image recognition?

I am graduate from other major, and now working in computer science and technology, my roomates are mostly researching on image recognition. I want to switch to it and learn how to cooperate with...

21 August 2020 2,888 9 View

How to tranfect PMA-treated THP-1 cells?

I differentiated THP-1 cells to macrophages using PMA(100ng/ml) and then used lentivirus to deliver shRNA to knockdown my target genes. Unfortunately, it was too difficult to be transfected...

16 August 2020 5,073 3 View

How to correct OBS horizontal components when the instrument tilted?

I want to rotate the 1,2 components of OBS to the R, T components, but the SAC command running results show that the two components are not horizontal. Could anyone can teach me how to correct...

06 July 2020 2,536 3 View

Is there any evidence that paracetamol or ibuprofen can be used to prevent COVID-19?

People are told that paracetamol or ibuprofen can only be used to treat the symptoms of COVID-19, but we think that taking paracetamol and vitamin C or ibuprofen and vitamin C every day is a...

01 July 2020 3,058 4 View

ORCA4.2.0 GTOInt error?

when I run ORCA, I got an error as follows: ORCA finished by error termination in GTOInt Calling Command: mpiexec -np 4 D:\ORCA421\orca_gtoint_mpi.exe na20.int.tmp na20 [file...

08 May 2020 5,444 3 View

How to encode aethetic feeling?

Dear Colleague, I would like to find some original literatures studying on aethetic feeling. Many literatures have focused on how to possess this capability, like experiential learning. But it...

02 May 2020 6,966 3 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View

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04 January 2021 3,293 1 View

PRECIPITATION MODELING OF V CARBIDE IN Mn STEEL?

HELLO DEAR COLLEGUES, Is there anybody who have acces to MATCALC software that help me modelling the precipitation phenomena in a medium Mn steel microalloyed with 0.15%wt. of V? The expected...

05 October 2020 5,914 3 View

What if one takes 8 most common elements of continental crust (except O) and make an alloy containing metals with SAME elemental ration of the crust?

This is likely a question which is to be regarded idiotic by Metallurgists and Geologists alike, but I think such Characterization have never been tried. Si, Al, Fe, Ca, Na, K, Mg, Ti There are...

22 August 2020 5,208 1 View

How can I use CALPHAD to predict phase stability of a novel system?

I want to design a novel high entropy alloy. I have already considered the atomic radius, the Pauling electronegativity. etc to predict whether it is a single-phase or not. However, I want to...

08 May 2020 7,824 4 View

Is there some correlation beetween thermodynamic functins and hardness of refractory compounds ?

The problem statement is a prediction some mechaninacal properties of MC type carbides solid solutions using CALPHAD.

16 January 2020 4,760 2 View

How can I compute the specific heat capacitiy in ThermoCalc?

Which commands do I use? My steps so far: - choosing the database - loading the elements - define my initial equilibriaum - set temperature as variable (step-command) and then i want to calculate...

19 December 2018 4,907 1 View

How can I compute the specific heat capacitiy in ThermoCalc?

Which commands do I use? My steps so far: - choosing the database - loading the elements - define my initial equilibriaum - set temperature as variable (step-command) and then i want to calculate...

11 December 2018 2,276 1 View

Grid size in material diffusion simulation - Physical significance?

10 October 2018 8,213 1 View

Grid size in material diffusion simulation - Physical significance?

09 October 2018 8,127 2 View