Geometrical optimization in CASTEP?

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What is the temperature pressure profile for a methanol water mixture?

I have a methanol-water mixture and I want to know how temperature changes pressure with varying methanol-water percentage (v/v)?

23 November 2020 1,585 1 View

How to use constraint in Rietveld refinement?

I am working on spinel ferrites (AB2O4). Since cations in spinels can occupy both tetrahedral and octhedral sites, I need to find out the amount of cations occupying the tetrahedral and octahedral...

28 June 2020 3,677 1 View

How to use more than one instrument driver in a single labVIEW task to measure input vs output curve?

I am trying to measure magnetostrictive strain as a function of applied DC magnetic field. For this, I am using NI9237 module sitting on a chassis for strain measurement, and a lakeshore 425...

29 January 2020 2,862 3 View

How is the magnetoelectric current measured?

Measurement of magnetoelectric current (density) seems to be very popular to investigate the magneto-electric response of multiferroics. It'll be grateful to know how it is measured and about the...

11 June 2019 5,869 1 View

How to determine the r1, r2 values of dual mode MRI contrast agent when T1, T2 relaxations are for two different compounds (sample is composite)?

I have developed a nanocomposite of two different systems. Individually, one of the systems is a good T1 contrast agent and the other is a good T2 contrast agent. Interestingly, both of them...

17 November 2017 391 3 View

How to carry out STL decomposition in matlab for daily climate data? If I want to LOESS algorithm, then how to know what parameters to be used?

I need this to remove seasonality from the historical daily data in order to forecast daily values for the future period.

08 August 2017 6,116 1 View

Can R-R interaction in orthoferrites become predominant with high rare earth concentration and what is the effect of high temperature?

Many articles states about three interactions (Fe-Fe, Fe-R, and R-R) in orthoferrites either at or below Neel Temperature. Not many evidence were found regarding the predominant interactions at...

02 May 2017 852 1 View

How the value of surface layer (skin) capacitance of a crystal differs from that of grain boundaries and grains?

It is reported that several important pervoskites like SrTiO3, BaTiO3 have surface layers that are structurally different from the interior of crystal. Further, it can show transition similar to...

25 August 2016 1,036 7 View

How do I get the topology data (and parameter) for alpha-ketoglutarate (AKG) and any other modified nitrogenous base?

Hello! I have just started NAMD to run some simulation. Going through the tutorials i find that for generation of a PSF file I need to call a specific topology file. I have found various such...

20 June 2016 9,847 3 View

Can the loss peak shift towards the lower frequency side with increase in temperatutre?

I have measured the frequency variation of Z" at different temperature above the room temperature and observed a peak in Z" spectrum. Generally, frequency corresponding to the maximum of Z" i.e.,...

31 May 2016 9,130 2 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

12% ledeburitic cold work tool steel, etched for revealing retained austenite, any help for clarifying?

Hello everyone. Given microstructure image belongs to a 12% ledeburitic cold work tool steel (annealed and tempered). The sample was etched with picral (100 mL ethanol and 4 g picric acid). I...

02 March 2021 4,119 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

How can you bring two structures together to create an adhesive bond in LAMMPS?

I have created an Ice 1h crystalline structure and an Aluminium substrate structure and equilibrated both at 250K. Now I need to bring them together in a way that an adhesive bond is created....

01 March 2021 3,325 2 View

What is the density for pva electrospining?

I'm Juan Carlos, a high school student who is working with electropinning, I made an electropinning machine with a 21g needle and a 30kv high voltage source and the distance between my needle is...

28 February 2021 298 3 View

Is anyone familiar with the cyclic compressive fatigue testing (BS EN 12697 - 25) ?

I would like to get more information on the cyclic compressive fatigue testing (BS EN 12697 - 25) which is typically done for bituminous material in pavement design. Any one can advise on the...

28 February 2021 2,004 3 View

For modelling epoxy-based matrices (in composites), which model in ABAQUS is the most suitable, Concrete damaged plasticity or Drucker-Prager model?

I am working on developing a micromechanical FE model for predicting kink-band formation in UD composites. To model matrix plasticity, which model, out of Concrete Damaged Plasticity and...

28 February 2021 5,415 1 View

Compact antenna for the frequency range 1 MHz-5 MHz?

Hello everybody! I have a problem with developing a compact antenna for the 1MHz-5MHz frequency range. Tell me what type of antenna can be used and what books and articles to read to perform this...

27 February 2021 7,710 4 View