How do I model dissolution of PMMA in solvent using COMSOL?

Hi, I would like to perform a computational study on PMMA dissolution in a solvent. I have to pay attention to the % PMMA dissolved with time. Also how this value changes depending on the shape of...

11 December 2019 2,709 2 View

Confusing LJ units in LAMMPS?

I'm trying to calculate thermal conductivity of graphene in Lammps. I started with LAMMPS's example script which uses LJ units. But, I'm not sure if it yields thermal conductivity in W/m-K units....

02 March 2018 7,529 6 View

How to calculate temperature profile from compute heat/flux in LAMMPS?

I'm using Green-Kube method in LAMMPS to calculate thermal conductivity of graphene. I'me getting fairly good results when compared to the experimental studies. However, I am unable to process...

02 March 2018 9,185 2 View

How to create a loft surface from multiple curves?

Hi, I want to create a loft surface by connecting the curves shown in the attached figure. Is there any way to do this in matlab? If not, which software would be best suited for this job? Thanks.

09 October 2017 2,175 5 View

How to select K-path for graphene?

I'm trying to generate the phononic band structure of graphene using GULP. The unit cell has two atoms. Is there anyone who can help me to select the correct k-path co-ordinates (gamma -> M...

05 June 2017 3,793 2 View

How to select an interatomic potential?

What are the differences between Tersoff, AIREBO, SW (Stillinger Weber), and EDIP interatomic potentials? If a MD simulation provides reasonable results with all of these interatomic potential,...

11 December 2016 7,769 8 View

Any advice on a Comsol heater temperature problem?

I am trying to simulate the temperature response of a strip heater. From experiments I found that the temperature response was : T = 4.2935*log(t+10) + 19.62 t = time (s) However, comsol says...

08 September 2015 7,821 6 View

Comsol and Intel Xeon Phi Coprocessor?

I am using HP Zbook 15 G2 Workstation for Comsol simulations. Though ram on the laptop is quite fine, the processor is not up to the mark for comsol simulations. So, I was wondering if I can use...

08 September 2015 1,145 1 View

Anyone know how to simulate synthetic jet actuator using ANSYS fluent?

I want to simulate a synthetic jet actuator (SJA) in ansys fluent 13. This SJA will be used to control flow over a NACA 0015 wing. I want to use a loudspeaker as SJA for convenience. As far I...

01 February 2014 3,480 5 View

Looking for Materials with high thermal expansion coefficient and high temperature resistance?

03 March 2021 8,272 1 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 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

What are anisotropic electrical and optical properties of a semiconductor due to?

In some materials, properties such as band gap, thermal conductivity differ along different crystallographic axes. What are the basics?

01 March 2021 1,923 3 View

Energy minimization in LAMMPS using NVT ?

How do I do energy minimization in lammps with NVT ensemble ? I am using the following command and it does not seem to work. It stops at extremely high energy and gives me the error zero search...

01 March 2021 2,294 3 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 are the new 2D nanomaterials were used for Silver nanoparticles stabilization?

In the stabilization of AgNPs are vital in current research interest. However, some of the 2D nano-materials like graphene oxide, MoS2, etc... previously used to stabilize it. But still they shown...

01 March 2021 2,207 3 View

1 nm thick MgO thin-film to be deposited on Si wafer using thermal evaporation. What will be the optimum deposition conditions?

Favourable conditions of base pressure, rate of deposition. Also, by which characterisation technique to be used to verify the thickness of the deposited film.

28 February 2021 3,640 3 View

Why do a weight decrease for thermal degradation in nitrogen gas condition?

Hi all The question is related to TGA(Thermogravimetric analysis). Thermal degradation easily understood but why do samples weight decrease? altough just binding is broked, the weight of...

26 February 2021 1,100 5 View

Can thermal cycler machines be problematic during PCR?

Hi, my question is about the heating of thermal cycler machines and I hope some of you had experienced a similar thing previously. There are two thermal cycler machines in the lab(BioRad) and for...

26 February 2021 4,777 4 View