What is recoil energy in the Molecular dynamics simulation of an interface?

Mohammad Rafat Sadat @Mohammad_Sadat

06 June 2016 0 10K Report

Just found this term while browsing the literature. Anybody familiar with the term?

Best regards-

Mohammad

Badges
Science topic

More Mohammad Rafat Sadat's questions See All

How to prepare the input files for running ANSYS on HPC systems?

I am currently working on a project using ANSYS workbench but finding it very difficult to run large simulations on my laptop. I was wondering if anyone has any experience on how to prepare the...

04 May 2017 3,282 1 View

How to visualize voids using VMD?

Is it possible to visualize voids in a molecular structure using VMD? If so can anyone share any tutorials? Thanks!

04 May 2017 4,250 2 View

How to modify a quartz crystal to make it tetragonal while maintaining stoichiometry?

Hello fellow researchers, I want to use quartz crystal along with some other systems for MD simulation but I really want a Tetragonal system (alpha = beta = gamma = 90 degree). Quartz has gamma =...

05 June 2016 1,673 7 View

Can anybody suggest any reference of ReaxFF parameters for Na-aluminosilicates for MD simulation?

Cannot find any complete set of parameters for Na-Al-Si-O (or sodium aluminosilicates) for ReaxFF. Any help will be very much appreciated.

05 June 2016 4,773 4 View

Comparison of compressive strength between hardened cement paste, cement mortar and cement concrete?

Which one of these strength should be the highest and in which order? Why? 1. Cement paste 2. Cement mortar (with sand added) 3. Cement concrete Is there any published paper on this topic? Any...

02 March 2016 5,247 7 View

How to develop investments in renewable energy sources?

08 August 2024 5,112 3 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,495 2 View

What are the shear and normal stiffness values of an LLDPE liner in 3D numerical modeling of a stockpile?

I am seeking experimental or applicable data for the liner (LLDPE) interface in FLAC3D numerical modeling of a large stockpile. Could you please recommend suitable references? The preferred data...

05 August 2024 3,665 0 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

03 August 2024 3,371 3 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out?

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...

31 July 2024 781 1 View

Is artifacts in XPS possible to build high deviation in binding energy larger than 5 eV??

Hello. Thanks for your consideration to see my question. Recently, I conducted XPS anaylsis of g-CN that is prepared from thermal polycondensation of DCDA, so-called conventional bulk-g-CN,...

30 July 2024 9,824 2 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View