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Shell - Science topic
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Questions related to Shell
warning messages: "The normals for some stacked continuum shell elements deviate by more than 20 degrees. This can lead errors in the output variables ctsh."
Does anyone know this problem?
In a triangular disc shell nanoparticle with gold shell and air core in the extinction spectrum, we see 4 plasmonic bands at wavelengths of 900, 700, 600 and 500 nm. Which one of them is related to dipole and which one is quadrupole And which ones are 8 poles? Which one of them is bonding and which one is anti-bonding? While for my circular shell nanoparticle, there are two plasmon bands, one around 900 nm and the other around 500 nm. Is 900 nm a bonding dipole and 500 nm is an anti-bonding dipole? What are these middle bands in the triangular state? How to distinguish them from each other?
what aim of the Au@Cds core/shell
Hello,
I'm planning a shell exchanging experiment with two marine, hermit crab species inside of a tank. I only have one tank available for this experiment. I plan on running 30-40 shell exchanging trials, each trial lasting 48 hours. During each trial, I will place 2 individual hermit crabs, one of each species, inside a tank with a single empty shell. Note, both hermit crabs will be wearing damaged shells. The objective of this experiment is to see if one of the species exhibits a higher frequency of taking the empty whole shell than the other, which we would interpret as one species being more dominant. The idea is that each trial will be conducted with new individuals and new shells.
My questions are, is the Chi-Square test the appropriate statistic for this hypothesis? Lastly, if it is, could someone give me an example of what the contingency table/matrix would like for the analysis?
Many thanks,
Miguel
Hi All,
I am trying to wannierize a wave function for Black Phosporene generated using quantum espresso as stated in :
This is my wannier input file
num_wann = 4
num_bands = 65
dis_num_iter = 400
num_iter = 100
guiding_centres =.true.
dis_win_min =0
dis_win_max =21
!dis_froz_min =0
dis_froz_max =8
begin atoms_frac
P 0.000000 1.999871 1.256290
P 0.499999 1.999871 0.811825
P 0.000000 1.364018 0.122453
P 0.499999 1.364018 0.566918
end atoms_frac
begin projections
P:sp3
end projections
begin unit_cell_cart
bohr
03.29549 00.00000 00.00000
00.00000 10.93010 00.00000
00.00000 00.00000 04.54364
end_unit_cell_cart
bands_plot = .true.
begin kpoint_path
G 0.000000 0.00000 0.00000 X 0.500000 0.00000 0.00000
X 0.500000 0.00000 0.00000 Y 0.000000 0.50000 0.00000
Y 0.000000 0.50000 0.00000 Z 0.000000 0.00000 0.50000
Z 0.000000 0.00000 0.50000 G 0.000000 0.00000 0.00000
end kpoint_path
mp_grid : 8 8 1
search_shells = 65
begin kpoints
0.000000000000000 0.000000000000000 0.000000000000000 0.0156250000
0.000000000000000 0.125000000000000 0.000000000000000 0.0156250000
0.000000000000000 0.249999999999999 0.000000000000000 0.0156250000
0.000000000000000 0.374999999999999 0.000000000000000 0.0156250000
0.000000000000000 -0.499999999999999 0.000000000000000 0.0156250000
-0.000000000000000 -0.374999999999999 -0.000000000000000 0.0156250000
-0.000000000000000 -0.249999999999999 -0.000000000000000 0.0156250000
-0.000000000000000 -0.125000000000000 -0.000000000000000 0.0156250000
0.125000000000000 0.000000000000000 0.000000000000000 0.0156250000
0.125000000000000 0.125000000000000 0.000000000000000 0.0156250000
0.125000000000000 0.249999999999999 0.000000000000000 0.0156250000
0.125000000000000 0.374999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.499999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.374999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.249999999999999 0.000000000000000 0.0156250000
0.125000000000000 -0.125000000000000 0.000000000000000 0.0156250000
0.249999999999999 0.000000000000000 0.000000000000000 0.0156250000
0.249999999999999 0.125000000000000 0.000000000000000 0.0156250000
0.249999999999999 0.249999999999999 0.000000000000000 0.0156250000
0.249999999999999 0.374999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.499999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.374999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.249999999999999 0.000000000000000 0.0156250000
0.249999999999999 -0.125000000000000 0.000000000000000 0.0156250000
0.374999999999999 0.000000000000000 0.000000000000000 0.0156250000
0.374999999999999 0.125000000000000 0.000000000000000 0.0156250000
0.374999999999999 0.249999999999999 0.000000000000000 0.0156250000
0.374999999999999 0.374999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.499999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.374999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.249999999999999 0.000000000000000 0.0156250000
0.374999999999999 -0.125000000000000 0.000000000000000 0.0156250000
-0.499999999999998 0.000000000000000 0.000000000000000 0.0156250000
-0.499999999999998 0.125000000000000 0.000000000000000 0.0156250000
-0.499999999999998 0.249999999999999 0.000000000000000 0.0156250000
-0.499999999999998 0.374999999999999 0.000000000000000 0.0156250000
-0.499999999999998 -0.499999999999999 0.000000000000000 0.0156250000
0.499999999999998 -0.374999999999999 0.000000000000000 0.0156250000
0.499999999999998 -0.249999999999999 0.000000000000000 0.0156250000
0.499999999999998 -0.125000000000000 0.000000000000000 0.0156250000
-0.374999999999999 -0.000000000000000 -0.000000000000000 0.0156250000
-0.374999999999999 0.125000000000000 0.000000000000000 0.0156250000
-0.374999999999999 0.249999999999999 0.000000000000000 0.0156250000
-0.374999999999999 0.374999999999999 0.000000000000000 0.0156250000
-0.374999999999999 0.499999999999999 0.000000000000000 0.0156250000
-0.374999999999999 -0.374999999999999 -0.000000000000000 0.0156250000
-0.374999999999999 -0.249999999999999 -0.000000000000000 0.0156250000
-0.374999999999999 -0.125000000000000 -0.000000000000000 0.0156250000
-0.249999999999999 -0.000000000000000 -0.000000000000000 0.0156250000
-0.249999999999999 0.125000000000000 0.000000000000000 0.0156250000
-0.249999999999999 0.249999999999999 0.000000000000000 0.0156250000
-0.249999999999999 0.374999999999999 0.000000000000000 0.0156250000
-0.249999999999999 0.499999999999999 0.000000000000000 0.0156250000
-0.249999999999999 -0.374999999999999 -0.000000000000000 0.0156250000
-0.249999999999999 -0.249999999999999 -0.000000000000000 0.0156250000
-0.249999999999999 -0.125000000000000 -0.000000000000000 0.0156250000
-0.125000000000000 -0.000000000000000 -0.000000000000000 0.0156250000
-0.125000000000000 0.125000000000000 0.000000000000000 0.0156250000
-0.125000000000000 0.249999999999999 0.000000000000000 0.0156250000
-0.125000000000000 0.374999999999999 0.000000000000000 0.0156250000
-0.125000000000000 0.499999999999999 0.000000000000000 0.0156250000
-0.125000000000000 -0.374999999999999 -0.000000000000000 0.0156250000
-0.125000000000000 -0.249999999999999 -0.000000000000000 0.0156250000
-0.125000000000000 -0.125000000000000 -0.000000000000000 0.0156250000
end kpoints
But I am getting following error when executing wannier90.x -pp pwscf:
Running in serial (with serial executable)
------
SYSTEM
------
Lattice Vectors (Ang)
a_1 1.743898 0.000000 0.000000
a_2 0.000000 5.783960 0.000000
a_3 0.000000 0.000000 2.404391
Unit Cell Volume: 24.25222 (Ang^3)
Reciprocal-Space Vectors (Ang^-1)
b_1 3.602954 0.000000 0.000000
b_2 0.000000 1.086312 0.000000
b_3 0.000000 0.000000 2.613213
*----------------------------------------------------------------------------*
| Site Fractional Coordinate Cartesian Coordinate (Ang) |
+----------------------------------------------------------------------------+
| P 1 0.00000 1.99987 1.25629 | 0.00000 11.56717 3.02061 |
| P 2 0.50000 1.99987 0.81183 | 0.87195 11.56717 1.95194 |
| P 3 0.00000 1.36402 0.12245 | 0.00000 7.88943 0.29442 |
| P 4 0.50000 1.36402 0.56692 | 0.87195 7.88943 1.36309 |
*----------------------------------------------------------------------------*
------------
K-POINT GRID
------------
Grid size = 8 x 8 x 1 Total points = 64
*---------------------------------- MAIN ------------------------------------*
| Number of Wannier Functions : 4 |
| Number of Objective Wannier Functions : 4 |
| Number of input Bloch states : 65 |
| Output verbosity (1=low, 5=high) : 1 |
| Timing Level (1=low, 5=high) : 1 |
| Optimisation (0=memory, 3=speed) : 3 |
| Length Unit : Ang |
| Post-processing setup (write *.nnkp) : T |
| Using Gamma-only branch of algorithms : F |
*----------------------------------------------------------------------------*
*------------------------------- WANNIERISE ---------------------------------*
| Total number of iterations : 100 |
| Number of CG steps before reset : 5 |
| Trial step length for line search : 2.000 |
| Convergence tolerence : 0.100E-09 |
| Convergence window : -1 |
| Iterations between writing output : 1 |
| Iterations between backing up to disk : 100 |
| Write r^2_nm to file : F |
| Write xyz WF centres to file : F |
| Write on-site energies <0n|H|0n> to file : F |
| Use guiding centre to control phases : T |
| Use phases for initial projections : F |
| Iterations before starting guiding centres: 0 |
| Iterations between using guiding centres : 1 |
*----------------------------------------------------------------------------*
*------------------------------- DISENTANGLE --------------------------------*
| Using band disentanglement : T |
| Total number of iterations : 400 |
| Mixing ratio : 0.500 |
| Convergence tolerence : 1.000E-10 |
| Convergence window : 3 |
*----------------------------------------------------------------------------*
*-------------------------------- PLOTTING ----------------------------------*
| Plotting interpolated bandstructure : T |
| Number of K-path sections : 4 |
| Divisions along first K-path section : 100 |
| Output format : gnuplot |
| Output mode : s-k |
*----------------------------------------------------------------------------*
| K-space path sections: |
| From: G 0.000 0.000 0.000 To: X 0.500 0.000 0.000 |
| From: X 0.500 0.000 0.000 To: Y 0.000 0.500 0.000 |
| From: Y 0.000 0.500 0.000 To: Z 0.000 0.000 0.500 |
| From: Z 0.000 0.000 0.500 To: G 0.000 0.000 0.000 |
*----------------------------------------------------------------------------*
Time to read parameters 0.011 (sec)
*---------------------------------- K-MESH ----------------------------------*
+----------------------------------------------------------------------------+
| Distance to Nearest-Neighbour Shells |
| ------------------------------------ |
| Shell Distance (Ang^-1) Multiplicity |
| ----- ----------------- ------------ |
| 1 0.135789 2 |
| 2 0.271578 2 |
| 3 0.407367 2 |
| 4 0.450369 2 |
| 5 0.470395 4 |
| 6 0.525915 4 |
| 7 0.543156 2 |
| 8 0.607273 4 |
| 9 0.678945 2 |
| 10 0.705586 4 |
| 11 0.814734 2 |
| 12 0.814739 4 |
| 13 0.900739 2 |
| 14 0.910916 4 |
| 15 0.930926 4 |
| 16 0.940789 4 |
| 17 0.950523 2 |
| 18 0.988574 4 |
| 19 1.051821 4 |
| 20 1.051831 4 |
| 21 1.086312 2 |
| 22 1.127961 4 |
| 23 1.175970 4 |
| 24 1.214546 4 |
| 25 1.222101 2 |
| 26 1.302445 4 |
| 27 1.309513 4 |
| 28 1.351108 2 |
| 29 1.357890 2 |
| 30 1.357914 4 |
| 31 1.378132 4 |
| 32 1.411171 4 |
| 33 1.411184 4 |
| 34 1.430629 4 |
| 35 1.456197 4 |
| 36 1.493679 2 |
| 37 1.512104 4 |
| 38 1.518177 4 |
| 39 1.560099 4 |
| 40 1.577746 4 |
| 41 1.629468 2 |
| 42 1.629477 4 |
| 43 1.651964 4 |
| 44 1.690562 4 |
| 45 1.733657 4 |
| 46 1.744250 4 |
| 47 1.765257 2 |
| 48 1.801477 2 |
| 49 1.806587 4 |
| 50 1.821803 4 |
| 51 1.821819 4 |
| 52 1.821833 4 |
| 53 1.846962 4 |
| 54 1.861853 4 |
| 55 1.881579 4 |
| 56 1.901046 2 |
| 57 1.915557 4 |
| 58 1.925172 4 |
| 59 1.953665 4 |
| 60 1.977147 4 |
| 61 1.981783 4 |
| 62 2.014093 4 |
| 63 2.036835 2 |
| 64 2.036864 4 |
| 65 2.086032 4 |
+----------------------------------------------------------------------------+
| The b-vectors are chosen automatically |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
| SVD found small singular value, Rejecting this shell and trying the next |
Unable to satisfy B1 with any of the first 65 shells
Your cell might be very long, or you may have an irregular MP grid
Try increasing the parameter search_shells in the win file (default=12)
Exiting.......
kmesh_get_automatic
Can anyone help in this regard.
With Thanks,
Shreevathsa N S
Why Mg centre is bent in some photos and linear in anothers?
"in CH3CH2MgBr"
Which of these items acceptable ? Why?
Mg has just 2 electrons in valance shell, why this centre can be bent?
Hello,
I am working on applying a point load on a specific point of a shell surface in COMSOL. The point load is frequency-dependent and also a function of the shell's displacement. Specifically, the load is defined as:
Zpoint = i * (omega * mr) / (i * (omega * mr) - kr / omega)
Fpoint = - Zpoint * w
Where:
- omega is the angular frequency,
- mr is the mass parameter,
- kr is the stiffness parameter,
- w is the displacement of the shell surface at the point.
Could you guide me on how to set up this type of load in COMSOL? Specifically, I am unsure how to implement the frequency dependency and displacement-based load at a point on the shell surface.
Thank you for your help!
I understand that after import STL file in the plug-ins, I can convert it to a solid by using 'Create geometry from mesh'. However, the model I want to convert to a solid is a shell, so the 'Create geometry from mesh' option doesn't appear. If anyone knows how to convert a shell STL to a solid in Abaqus, please share any information you have. Thank you.
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
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 chemical rxn, shouldn't non-halogens and non-noble-gases be more reactive? (AFAIK) Just from a probability perspective, the probability of hitting the empty spot in the electron shell which is crowded by 7 electrons already is just less likely when you can hit any of the >1 empty places in the shell of the electron accepting atom. I'm aware electrons are non-stagnant.
Any one have JCPDS file of CdSe ZnS core shell structure
The shell material is melamine formaldehyde and polyurethane, polyurethane-urea fragrance capsules are produced and the laundry is washed with softeners. However, the fragrance capsules do not bind to the fabric sufficiently. What should be done for this?
I have seen examples with singlet systems but I do not know if ORCA is able to do it with quintet complexes, or if I need to set some extra keyword.
Hello everyone,
I am currently working on a case involving Cardiovascular disease using FSI (Fluid-Structure Interaction). I have an artery in an STL file. However, when I created a shell for the artery to represent the arterial wall in the mechanical simulation, it ended up consisting of multiple parts, making it difficult to select and to apply pressure on the surface.
Is there any way to merge the facets on the wall and the inlet into a single surface?
Thank you.
Hi Everyone,
I plan to deposit a catalyst (TS-1@Co-PDA, in the core: TS-1 zeolite with a shell of Polydopamine designed with Cobalt) on a rotating ring-disk electrode (RRDE) to evaluate the oxidation-reduction reaction (ORR) performance of my catalyst. My reference used Nafion solution 5% as a binder. Can I use another binder like silicon oil or PVDF?
Thanks in advance for your answers!
Hedieh
…
What does it mean meshed wall and shell conduction with or without run-out method use to meshing copper tube in Ansys fluent?
The eggs of cuckoos have thicker shells than their hosts'. Unfortunately, I haven't found published data on the egg shell thickness of the cuckoo finch (Anomalospiza imberbis). If someone has such an information (published or not), would be really thankful if to be shared.
I milled two activated carbons, with different main sources (shell nutt and bituminous coal). The shell nut AC did not increase in surface area but had some degree of amorphization after milling. Still, the bituminous coal AC remains the same in graphitization, but the surface area is duplicated. Can changes in surface structure alter the surface area measured by BET method? Does the amorphization remove micropores and then reduce surface area? And the main source could influence this result and how?
What are the causes of the presence of pyramidal shell deformations in sea turtles? What is the effect of these deformations on the health of these chelonians?
Hi, I have been using *Initial Conditions, type=STRESS to import stresses. It worked well for C3D8R solid elements. However, I struggled to get it work for continuum shell elements SC8R.
I performed identical CAE operations but when using SC8R, the initial stresses imported were always zero. This is bizarre. Does it mean that *Initial Conditions, type=STRESS does not support continuum shell elements?
while attending class my professor asked us to count benthic species,and in my counting i mentioned sea snails,certain i have read multiple times that their classification is "univalvia" since their shell is made from a single piece,unlike the two shells of BIvalvia. Now howerver,i see the term is used as arhaic?
Hello everyone. I am trying to calculate the stiffness coefficient in all directions by using displacement-load data. As we know, stiffness is the force per unit displacement in a particular degree of freedom, and another degree of freedom will be fixed. So I consider a beam element, apply a load, obtain displacement, and get the stiffness coefficient in that direction. This result matches the analytical result( code written in Matlab). Now I follow the same procedure to obtain the stiffness coefficient in the shell element for a node in one DOF. Then the results of the shell element do not match with Matlab. I am attaching one image for the clarification. Please help me out; what is wrong I am doing? Is there a conceptual error for calculating the stiffness coefficient for a node in one direction?
Thanks for reading this long paragraph.
A interesting question: i want to create a egg model in Abaqus including 3 parts: eggshell(shell element), egg white(solid element) and egg yolk (solid element).
They are wrap each other. However, what contact and constraint i should use in ?
My idea is: using embedment constraint between white and yolk, however, i dont know what used between the shell and white?
Any idea will be very appreciate, thank you!
I have a model of a shell plate with several layers of composite materials, designed using CQUAD elements. As part of the static analysis of the model, Nastran provides me with the stress and strain in the middle plane of each layer. Is it possible to obtain the stress and strain in the top and bottom planes of each layer by modifying the .bdf file? I do not wish to use Patran for post-processing.
Would anyone be able to please provide me with CIF files for Manganese (II) acetate, Manganese(III) acetate, Manganese (II) and MnIII) phosphate. Required for shell fitting couldn't find from Crystallography Open database and American Mineralogist. Any help would be greatly appreciated.
I also need the following JCPDS cards:
1. JCPDS, card no. 33–0901
2. JCPDS card for Manganese(III) phosphate
3. JCPDS card for Manganese(II) acetate
4. JCPDS card for Manganese(III) acetate
I have geometry file of pelvis and sacrum bone. I need to create cortical bone shell over this model with 2mm thickness. Then I will manipulate the geometry by making holes into the the two bones to insert a screw and conduct finite element analysis. How can I make the shell over the bones for my purpose? I have attached the geometry file with here.
I want to simulate droplet generation in comsol. I already know how to simulate droplet formation using level-set method when there're two phases. But now I need to simulate generation of droplets with "cores and shells". Cores of the droplets never meet the continuous phase which is in contact with the droplets shells.
So, I was thinking maybe I can use 2-phase level set method twice? Once between the core and the shell and once between the shell and the continuous flow.
I tried using this approach but I failed. I'm wondering if this approach is even correct? I mean, I might be doing something wrong in using level set method for 3 phases, and I can fix it if it's not scientifically wrong, but if it's scientifically wrong then I should go with another method(like phase field).
There's a picture of what I am going to simulate in the attached file.
I will be really grateful if you help me. Thank you
I'm doing a research on numerical investigation of behavior of steel concrete composite beams. I'm using the Abaqus software in my analysis. In my model, I'm using shell element to model the Steel beam and solid element to model the concrete slab where the reinforcement has embedded in it. The steel beam and the concrete slab is connected using the shear studs which were modelled using solid elements.
My question is,
If we use a tie constrain in between the steel beam top flange (modelled with shell) and shear studs (modelled with solid element) what would happen to degree of freedom in rotation of the steel beam? Here I have used a tie constrain to simulate the welded connection between the steel beam top flange to the shear studs.
Will ABAQUS automatically constrain the degree of freedom in rotation if I use this interaction? If so will it cause any inaccuracy in the final results?
Also, is there any possibility to use shell to solid coupling to simulate the same interaction?
Hi there,
I need help improving the interaction between beams and shell components that represent the bolts in the structure that I have built using Abaqus for a truss bridge. In particular, I want to build a reliable simulation that faithfully captures how the bolt connections behave.
To gain a better understanding of the structural response in the event of a bolt failure or loosing, I am also trying to mimic such scenarios. Your advice and suggestions on how to simulate bolt failure and create an efficient interaction model would be really helpful to my research.
For reference, I've included a picture of my model as it is right now. Any advice or knowledge in this field would be much valued.
Thank you in advance for your assistance.
I want to create a composite layup in Abaqus. This part was created by a 2D shell. Global Y axial is chosen as the stacking direction. In the Creat Composite Layup module, only solid element type can be selected. I want to know whether this method is available or not in Abaqus. if this approach is available, which element type should be chosen in the mesh module for this composite.
We have the diameter of the core nanoparticles.
It's a tube & shell exchanger
How are the shells useful in core@shell nanostructures for energy storage purposes? Can thickness of shell play a vital role for storing energy? Is there any relations between thickness of outer shell layer of Core @shell nanostructures and dielectric constant ?
I have been attempting to synthesise core-shell nanowires with the core as undoped V2O5 and the shell as Mo-doped V2O5. The TEM images show that a layer has been deposited. How to ensure that the deposition has occurred uniformly, as to use it for gas sensing, the confirmation is necessary whether the response is coming from the core-shell structure or from the individual components.
As a new student researcher I've to reproduce the core-shell structured NPs that is already developed by another researcher.
Although I'm following the same protocol, but In my case, for some of the NPs the formation of shell structure is okay, but for some of the NPs there is no shell outside the core. But I've to make all the NPs uniform and reproducible. Please suggest me some issues that I've to focus on.
I'm using Au NP as the core, and for shell formation HEPES/Haucl4 is used.
I order too achieve partial coating of shell on core, how layer-by-layer method is applicable. Kindly helm me in getting the exact chemistry and procedure for the same
We synthesized a core-shell magneto-electric nanoparticles for drug delivery application, required layer-by-layer deposition method for the synthesis. How it is employed? What's the exact procedure? Also what will be the expected size range of core and shell?
Hello, I'm trying to model my pipe elbows using a shell element in sap2000, in order to capture the ovalisation effect. I drew the pipes using the frame element with a pipe section therefore it's really hard to assign the the area section (shell section) to the the frame element. Does anybody here know how I can achieve such a task?
Thanks in advance.
#sap2000 #piping
In order to maximize the visibility of growth details, it is necessary to cut the shell along the direction of maximum growth. However, the hinge of the Modiolus exhibits some curvature along its growth axis. How can we select an appropriate cutting direction?
Hello,
I am conducting a protein-metal docking in Autodock using an Arsenic compound and am unable to produce a proper GLG file. When I complete the autogrid I get the following error in the GLG file:
GPF> parameter_file AD4.1_bound.dat
Using read_parameter_library() to try to open and read "AD4.1_bound.dat".
/autogrid4.exe: FATAL ERROR: Sorry, I can't find or open AD4.1_bound.dat
/autogrid4.exe: Unsuccessful Completion.
I am unsure if the problem comes from an issue with the software, parameter file, or even python? The python shell shows some errors, but I don't know if that is just because the parameterization was unsuccessful.
To solve the issue I have tried the following steps but they did not fix the error:
- After setting up grid, Output>Save GPF>”File.gpf”. Then opening up the File.gpf in the folder and adding “parameter_file AD4.1_bound.dat” to the very first line.
- After saving the grid, selecting Other Options>Parameter Library Filename>Select file>Edit Parameter Library>Select File>OK>Output>Save GPF>”File.gpf” to directly add the parameter file to the GPF file using Autodock
- Copying the parameter files from the vina website and adding only additional atoms of interest
- No spaces in files/pathways and ensuring everything in the same workspace folder
- Unchecked Read-only from properties of folder
- Ran Autodock Tools as an administrator
- Set "Startup Directory" as "C:\Workspace" from AutoDock Tools preferences.
Thank you very much.
I want to model T-lymphocyte for example which is expected to have about 3 shells; cytoplasm, membrane and nucleus. The nucleus will also have nuclear membrane
how can I prevent the mixing of mantle water while applying foot retraction technique?
No biaxial stress limit given. Default f12 used.
104 nodes are common between the tied pair. no constraint is formed for these nodes. The nodes have been identified in node set WarnNodeCommonTiedPair.
*tie between surface pair (assembly_cz_surf,assembly_b_srf) is reverted back to type node-to-surface. This case may happen if type surface-to-surface cannot find nodes to tie together or if default acoustic-structural tie is specified involving shells. Please check the surface definitions or specify type=surface to surface for acoustic-structural tie.
For *tie pair (assembly_cz_surf-assembly_b_srf), not all the nodes that have been adjusted were printed. Specify *preprint,model=yes for complete printout.
52 nodes have been adjusted. The nodes have been identified in node set WarnNodeAdjust.
*tie between surface pair (assembly_cz_surf,assembly_t_srf) is reverted back to type node-to-surface. This case may happen if type surface-to-surface cannot find nodes to tie together or if default acoustic-structural tie is specified involving shells. Please check the surface definitions or specify type=surface to surface for acoustic-structural tie.
For *tie pair (assembly_cz_surf-assembly_t_srf), adjustment was specified but no node was adjusted more than the adjustment distance = 2.22000e-16.
Two weeks ago I found a peculiar crab in the intertidal zone in SW Florida. when found, the crab was not utilizing a shell. It was similar shaped to porcelain crabs found in our area, but with smaller claws (red tipped) and the 5th perepod was flipped up on the dorsal size of the carapace. The eyes were also uniquely positioned on the ventral side of the animal. Upon collection, the crab was observed carrying a cockle shell half. It fit particularly snug in this shell, which leads me to believe this is a commonly used shell for this species. Any assistance on identification and/or resources would be appreciated.
Dear colleagues,
I am working with Python scripting on Periodic Boundary Conditions (PBC) for a GYROID unit cell in Abaqus. I used SHELL elements in Abaqus.
However, I have difficulty applying PBC on the corners of Gyroid because Gyroid only has 6 corners (C1, C2, C3, C5, C7, C8) and it does not have nodes (materials) on nodes C4 and C6 as shown in the figure, thus I cannot apply linear constraint equations to the node pairs related to C1 and C7.
For your information, I follow this paper to apply PBC for Gyroid: Omairey, Sadik L., Peter D. Dunning, and Srinivas Sriramula. "Development of an ABAQUS plugin tool for periodic RVE homogenisation." Engineering with Computers 35 (2019): 567-577.
If anyone knows this issue, could you please help me? I really appreciate this.
Thank you so much,
Best regards,
The samples are Periwinkle shells, clam shells, whelks shells and snail shells. they were chemically activated by Sulphuric acid and Potassium Hydroxide.
The SEM and FTIR imagery is required for my Thesis.
Hello,
I have carbon-coated Sn (Sn@C) nanoparticles in the powder form with the size ranging from 20-100 nm. I want to transform these core-shell structures to yolk-shell or hollow ones, so I need to obtain extra void in the core (Sn) without damaging the carbon shell onto the Sn layer. I have found a couple of paper about Sn etching or Sn-based alloy etching. I see that the Sn etching solution are HNO3 and water solution in 1:1 ratio, some of them HNO3: MetOH/EtOH solution in 2:1 ratio or like 0.5 M HNO3, but I haven't seen reliable procedure or like etch rate something. Since I never worked with it I wonder if someone can give me tips for safe handling such as which component I add first and what is the max temperature for it?
If you have any recommendation how to etch Sn safely and in a controlled manner, I would be grateful.
Thanks!
Aylin
i already have a model but i am having challenges regarding the catalyst effect. If anyone can give me a guidance ?
Hi fellow pioneers,
I am working on implementing contact constitutive relations for Abaqus/Explicit. However, I am running into much trouble. This problem seems to relate to the different ways contacts are handled in the two solvers. I could use some insights as to how to properly configure a VUINTER subroutine to work with Abaqus/Explicit.
To demonstrate my problem. I made a test model for Abaqus/Standard and Abaqus/Explicit. The model involves pressing (pressure = 0.1) a single shell element against a rigid shell, then dragging said shell element along the surface of the rigid shell (frictionless). I have a UINTER and a VUINTER subroutine for the two models. The test shows that the Abaqus/Standard model with UINTER subroutine is working as intended while the Abaqus/Explicit model is showing erroneous results. For instance, the shared image shows that with the shell moved from its initial position, a negative contact pressure (CPRESS) zone is created on the rigid shell at the location of the initial position of the deformable shell.
Any thoughts help. Thanks in advance.
Abaqus/Standards model: Cont_Tst_Imp_1.inp and Linear_UINTER_1.f
Abaqus/Explicit model: Cont_Tst_Exp_1.inp and Linear_VUINTER_4.f
Hello
I have an FE model (linear elastic material, homogeneous) using shell181 elements. The structure is subject to constant acceleration and undergoes a static analysis (antype,static).
About shell,mid and keyopt(8), Ansys manual reports:
KEYOPT(8) = 2 stores midsurface results in the results file for single or multi-layer shell elements. If you use SHELL,MID, you will see these calculated values, rather than the average of the TOP and BOTTOM results. You should use this option to access these correct midsurface results (membrane results) for those analyses where averaging TOP and BOTTOM results is inappropriate; examples include midsurface stresses and strains with nonlinear material behavior, and midsurface results after mode combinations that involve squaring operations such as in spectrum analyses
My midsurface results are not the average of top and bottom results, despite linear material and static analysis.
Just as an example for one element, I have for Von Mises (PRETAB):
ELEM STOP SMID SBOT
41848 0.20593E+008 0.60772E+007 0.26821E+008
where SMID, Von mises at shell,mid location, clearly is not the average between top and bottom.
So, why is this behavior happening given that I have linear material and no response spectrum analysis?
Thanks in advance.
Mathias
Hi,
I would like to apply a defined value of initial stress on 3D Shell elements in the initial step in Abaqus CAE. These shell elements are connected to a 3D Deformable Solid by a Tie Constrain. I have also tried to connect them through "shell-to-solid-coupling" constrain, but the same result. After the initial step, I provided a self-equilibrium step without any loading (Figure 4).
My problem is that after the next steps when loading starts a fast relaxation of this shell element (Figure 1) occurs without transferring the stresses to the tied 3D Solid shape (Figure 2). The tie properties are as shown in Figure 3.
My question is how to transfer a prestressing load (predefined field: stress) from a shell element to a 3D Solid, tied to each other since the main reason for this prestressing is to provide a negative deflection in the main structure?
The reason why I have not shared my publications in the ResearchGate forum is they are protected by the respective publisher with Copyright laws. Knowing this, can someone explain to me how I can share my publications with requests on this forum?
Thanks.
Best Regards
Allen Aradi
Senior Fuels Scientist - Products
Shell Global Solutions (US) Inc.
Email: allen.aradi@shell.com
I molded a simply supported beam (as shell element) under uniform downward load.
But dont know why s33 is zero while s22 has obvious stress profile?
In my understanding, s33 (should be in z direction) should be bending stress(normal stress), it should not be zero under bending.
Can anyone identify orange feature 12 on this female Ocenbera erinaceus? The image showing feature 12 is of the animal removed from the shell with the mantle left intact over the features. In the other image the mantle has been mostly removed. Confirmation/correction of other features is welcome.
1: translucent mantle (other features seen through it).
2: thickened mantle edge.
3: mantle extension forming respiratory siphon (unrolled).
4: osphradium at base of siphon.
5: ctenidium.
6: hypobranchial gland containing greenish hypobranchial mucus.
7: rectum.
8: black rectal gland.
9: heart.
10: kidney.
11: visceral lump containing digestive gland and, in breeding season, ovary.
12: ?
13: afferent vessel of ctenidium.
Hi everyone,
I'm running shell buckling analysis with a shell with perfect geometry and consider geometric nonlinearities. The riks algorithm is set on automatic incrementation. In many cases, the solver gives out a warning message reporting negative eigenvalues, which means, that the bifurcation load may have been exceeded. However, the algorithm still increases the load proportionality factor and just 'runs over' the bifurcation load. This also happens if I decrease the initial and maximum increment. My solution so far is to check the message file for negative eigenvalues. However, this is inconvenient for automatisation of evaluation. Do you know of any other solution?
Hello
I am using the LSDYNA shell element to simulate the I-beam. I set the offset of the shell element thickness, which can be displayed in the pre-processing stage, but the shell element still does not offset in the post-processing stage. What may be the reason and how can I solve this problem?
Any suggestions would be appreciated.
thank you!
I am seeking advice for something I found in sediment samples of a Norwegian fjord.
The sediment samples were taken at approximatley 40 - 50 m water depth and contain something that we firstly classified as foraminifera. Quickly we decided that it must be something else and were unfortunatley not able to find out what until today. It could be another microfossil, some biogenic particle such as an egg or maybe even something anthropogenic. The shape has always the same size of about 150 µm, appears throughout all of our sediment cores and seems to be more abundant at 1 m depth than at the top. It has a calcareous "shell" and contains a honey-like substance.
I am attaching pictures taken with a light microscope.
I would be happy to solve the mistery and find out what this might be!
The purity (%) percentage. I have the DDA value, XRD, FTIR, Tg, TGA, and SEM. If any one can please help me.
As we know that a shell can be modeled as hybridization of a cavity and sphere. There is equation to find out the two different mode frequency of a metal shell if the dimension and bulk plasmon frequency is known.
When the structure is a core-shell, these two modes of hollow shell will again interact with Au sphere and provide different modes of core-shell structure.
The equation used to find out the hollow shell mode has a provision of a single bulk plasmon frequency. Whenever it comes to a core-shell structure, there are two bulk plasmon frequencies.
My question is what is the equation to find out the interaction of core and different modes of hollow shell?
I am trying to coat gold nanostars with mesoporous silica shell but many AuNSs are coated with silica instead of one individual nanostar. Anyone has any idea why and what I can do to have one nanostar coated with silica.