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 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

How to calculate Graphene thermal conductivity using lammps?

09 October 2016 4,970 4 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

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

How to evaluate unsupervised clustering metrics when some elements do not have a cluster label in the result?

I run algorithms like HDBSCAN and MeanShift, and compare them with K-means and GaussianMixture. The first two algorithms do not return cluster labels for some elements in the dataset. My question...

27 February 2021 428 3 View

How to make a time series imputation benchmark ?

Hello ! In a work, I have to benchmark different algorithms to fill in missing values in time series. I insist on the fact that this is imputation and not forecasting. In my case, I have access...

24 February 2021 7,470 7 View

What are the pros and cons for mice versus rats?

Hi Everyone, I am designing a pilot study using rodents to assess the effects of simulated space environments (radiation + altered gravity) on microbiome and immune system. I have limited...

24 February 2021 1,825 3 View

Thermal reduction of graphene oxide.?

I am trying to reduce graphene oxide by thermally but I have no proper information regarding this. Can any one help me regarding the details about temperature and time for the reduction of...

23 February 2021 4,155 4 View

Is there an ideal incubation time of RGO-modified SPCE before subsequent use, i.e., electrochemical characterization or further modification?

I notice that upon washing and air-drying of my RGO/SPCE surface and characterizing again via DPV, the current response towards ferricyanide probe significantly decreases. My worry is that the...

22 February 2021 5,324 3 View

How to get the vector of a specific vibration mode in phonon dispersion?

For example, I have this phonon dispersion(Fig. 1), and now I would like get vector of atoms which describes TA1 in P. I know v_sim can show vibrational animation of specific mode, but I do not...

20 February 2021 4,332 4 View

What is the best substrate for exfoliating few layers of hexagonal boron nitride (hBN) using traditional scotch tape method?

Unlike graphene, it is usually very difficult to exfoliate few layers (~10 nm thick) of hBN on SiO2 substrate due to lip-lip interaction at the edges. Au substrates have been proven very useful...

16 February 2021 2,635 2 View

How can I calculate teh crystallinity degree of graphene oxide?

I had treat my XRD diffraction pattern by Highscore to calculate the crystallinity degree Xc and I have the formula but I dont no the 2Theta of Ac and Aa to calculate Xc. Is it like polymers...

10 February 2021 6,305 5 View

How is KNN different from k-means clustering?

machine learning

09 February 2021 8,757 9 View