How to calculate the 111 uniaxial strain effect on Si using VASP?

Elisa Founda @Elisa-Founda

02 May 2016 1 3K Report

if I have a primitive cell of Si, how can I calculate the uniaxial strain effet along 111 direction?

Moreover, how to add the poison effect?

Zahir Muhammad

Check this link:

https://www.researchgate.net/post/How_to_change_the_uniform_strain_and_tensile_strain_apply_on_system

Badges
Science method

Similar topics
Methodology
Crystallography

More Elisa Founda's questions See All

Wat is the half-life of luciferase protein in mouse tissue when delivered using mRNA luciferase?

Hello, I I am validating a system to deliver mRNA using nanoparticles to a mouse model. I am initially using mRNA for firefly luciferase to be able to do live imaging in the mouse. After that, I...

17 February 2021 2,536 3 View

DoE: Possible reasons for having a lot of significant effects? Is it as complex or went something wrong?

I did a product development using Design Expert for planning and evaluation. There is a response with a lot of significant effects shown in the Half Normal Plot. By testing factors A, B, C, D I...

06 December 2020 5,128 3 View

How to know if 87Sr/86Sr is reliable for Sr isotope chemostratigraphy in marbles?

I am currently looking for parameters to know if 87Sr/86Sr data is reliable for chemostratigrahy in marbles, and/or parameters to know if those marbles have had some post-depositional...

30 November 2020 9,032 8 View

Controlling for a variable that is an outcome of the dependent variable: what is the interpretation of the coefficient of the regressor?

I am estimating a dependent variable as a function of a regressor using Ordinary Least Squares regression. If I add a control variable that is (partly) an outcome of my dependent variable, how do...

06 October 2020 3,224 1 View

Which EEG source analysis plugin for Matlab do you recommend?

Good morning, I have the EEG recordings of 65 subjects and I would like to reconstruct the source of the signal in the gamma frequency range. Unfortunately, I don't have an individual MRI or...

25 August 2020 10,021 2 View

How can I study the clusterization Vglut1 puncta in cultured cells ? Do you know exactly the dimension of one single Vglut puncta?

Hi guys, I ave to study the Vglut1 puncta density/clusterization in cultured cells and see any differences between 2 different conditions. I noticed that in treatment B Vglut puncta appear...

29 March 2020 6,120 1 View

Botany - Betula pubescens old drawing?

Does any of you have a vintage botanical print of Betula pubescens (alba) subsp. celtiberica? Thanks a lot!!!

27 February 2020 6,049 5 View

Why do I obtain wavy bands on acrylammide precast gel in western blot experiments?

Hello! I recently tested a new precast gradiented gel for my Western Blot experiments and I obtained wavy bands both for proteins and for molecular weight marker. I run in tris-glycine-sds running...

28 July 2019 2,303 6 View

Tris HCl 1.5M pH 8.8, Tris HCl 1 M pH 6.8, how to pH?

I am experiencing many problems in obtaining the correct pH of Tris-HCl solutions for acrylammide gels (pH8.8 and 6.8) due to the dependence of the pH on temperature. I prepared and brought the...

18 June 2019 7,663 9 View

Does anyone has any references for scholarly articles on teacher professional development and teacher identity?

My field research was to study the interactions of teacher leaders in a teacher leader PLC in a primary school. I am curious as to any findings you'd be willing to share and any current scholarly...

30 December 2018 8,201 3 View

Binary Logistic Generalized Linear Mixed model in SPSS. Is it doable?

I want to analyses the proportion of swimming sperm of three species of fish in two salinities. To analyse the proportion of swimming sperm in a Generalized Linear Model, I would use a Binary...

03 March 2021 2,297 3 View

How two melting peaks in DSC of polypropylene can be merged into one crystallization peak?

The figure shows DSC cooling (blue) and 2nd heating (green) curves (step: 10 K/min) for a commercial sample supplied as Atactic Polypropylene (APP). The heating curve illustrates two major...

03 March 2021 5,857 3 View

What analysis to choose with a large neste dataset and clearly skewed or kurtotic distributions?

Hello! I have a dataset of n=3000 nested within 8 countries with approximately 200 or 400 responses in each country. I originally planned to perform multilevel modelling with 4 dependent variables...

02 March 2021 6,865 1 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View

How can we simulate an hyperelastic-viscoelastic behavor with Ansys APDL?

I am working on modeling and simulation of biomecanical material behaviour, I have succeded on simulating skin using anisotropic hyperelastic material, on APDL and in our lab's finite element...

28 February 2021 552 3 View

What could be the reason for not having further low chi square value (better agreement) in my refinement result?

I have tried every combination of parameter changes and after that i have a poor chi square value. I can't get it lower any further. I know there have been a lot of discussion about Rietveld...

26 February 2021 8,480 3 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

Which books and review articles describe well the current state of deep reinforcement learning for the optimal control of physical processes?

I am going to treat in a lecture the application of deep reinforcement learning for the optimal control of physical processes. Therefore, I am looking for the best references. Besides the classics...

16 February 2021 1,006 6 View

Is there a way to tell based on appearance which protein crystal should diffract the best?

I have had unheard of success with protein crystallography lately from a super successful protein expression and purification batch. I have attained a lately reproducible vast amount of crystals...

09 February 2021 5,155 5 View

Electron density difference maps(Fo-Fc): what is the meaning of negative densities (red blobs)?

Dear community, As far as I understand, negative density features point at stuff that is in the model, but not supported by experimental data. However, in many cases (e.g. attached image), when...

06 February 2021 2,847 2 View