I'm looking for a minimal example of SiO2 or quartz, with EFF and
the electron mass set on its real value. Indeed, while the examples included in LAMMPS
run smoothly, I found very difficult to obtain a stable cell of SiO2.
I am attempting to do some peridynamics simulations of a face centeredcubic unit cell material. This material is a graphene structure of which Ihave calculated the stress strain curve (under...
08 September 2016 4,452 7 View
I have virus (viral hemorrhagic septicemia virus) in suspension and the experiment will not involve cells. What level of TCID50 is preferred?
11 August 2024 3,115 1 View
We intend to study the interaction between peptides and polymer (like PP, PE and PS) through MD simulations using Martini force fields ( Martini 2 for PP and Martini 3 for PE, PS). We have...
08 August 2024 4,842 0 View
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
Hello dear colleagues, We have prepared a manuscript on NiTi-based alloys and are seeking a second opinion on our current TEM results. If you are a Ph.D. holder with experience in TEM and have...
07 August 2024 9,563 0 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
Greetings When one is to perform Simulation or modelling of Pyrolysis of Biomass Waste materials using Aspen Plus software, and one has both the macromolecules breakdown (Cellulose, Lignin and...
06 August 2024 5,023 1 View
Hello guys! Do you have experience running a Oaxaca-Blinder decomposition on R applying person weights. How do you suggest doing it? I have a variable PERWT which gives more information on how...
04 August 2024 6,033 0 View
Hello. I am working on ROS production of two systems: system A is cerium oxide and hydrogen peroxide, system B is cerium oxide nanoparticle, hydrogen peroxide and potassium bromide. I did some...
04 August 2024 5,974 3 View
average particle size calculation from TEM
04 August 2024 2,921 1 View
If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...
03 August 2024 4,787 2 View