Can you please elaborate on 'total' and 'orbital decomposed' density of states?

Can you also describe how optical properties, like colour, can be studied from DoS?

06 July 2018 4,900 0 View

What is the difference between potential and potential energy?

How do you represent it mathematically?

09 October 2017 9,937 2 View

At what temperature does the Born-Oppenheimer approximation fail (for an H atom)?

Is there a mathematical framework to answer this question?

08 September 2017 497 2 View

Can the mass ratio of electron to proton (nucleus) change w.r.t. change in temperature, for an H atom?

The ratio is ideally ~1 : 1836. At what temperature does it fall to 1 : 1800?

08 September 2017 3,705 3 View

Shouldn't "heat gradient" be the driving force for heat flow rather than "temperature gradient"?

31 December 2015 894 5 View

In the synthesis of nanoparticles by the coprecipitation method, particles precipitate and are vividly visible. How can we actually see nanoparticles?

11 December 2015 3,591 8 View

[VASP] Relaxation in Steps.

Is it alright if I run an ISIF = 3 and ISPIN = 2 calculation for 2 hours, after which the job terminates (limited computing resources), and then simply copy the CONTCAR to POSCAR and start it...

01 January 1970 3,513 7 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

Why can't make aluminum nitride film successfully by use sputter?

We use reactive sputtering process to make aluminum nitride film, and want to make c-axis aluminum nitride film on a silicon substrate, but the crystal orientation cannot be seen with...

03 March 2021 7,975 3 View

Is there any test to determine the cardiovascular risk of patients with obesity? from the perspective of obesity?

We found tests to determine cardiovascular risk taking into account lipid profile, blood pressure, age, history of diabetes, other laboratories. But when weight is involved, there is a paradox. I...

02 March 2021 6,036 1 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...

02 March 2021 4,910 3 View

Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

Sutter electrode holder leaking after applying positive pressure. How to fix?

I am using a Sutter electrode holder for my patch clamp experiments, but I'm having trouble keeping positive pressure inside my electrode due to a leak out of the back of the holder. I have added...

02 March 2021 5,829 1 View

What SPSS analysis should I run with one IV (with two levels) and two DVs?

Hi, I am trying to figure out which test would be most appropriate to run for the following question: Is there a difference in task blood pressure between smokers and non-smokers? There are two...

01 March 2021 8,235 2 View

How much pressure we can reduce at the outlet to avoid Reverse Flow?

I am simulating Heat Exchanger. I have tried and tested all the methods to resolve this issue from the internet like refining mesh, improving skewness and orthogonal quality ,extending outlet to...

01 March 2021 6,985 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

Exit velocity of natural gas from pressurized tank?

Hi Guys. I'm a mechanical engineer and have a bit trouble, would be very glad if you could help me with my questions. I have a pressurized tank which contains Natural Gas at 200 Bar and 293...

26 February 2021 6,253 3 View