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[REVIEW]: SIMsalabim: A time resolved drift-diffusion simulation software #3727
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Hello human, I'm @whedon, a robot that can help you with some common editorial tasks. @UTH-Tuan, @shahmoradi, @roderickmackenzie it looks like you're currently assigned to review this paper 🎉. Due to the challenges of the COVID-19 pandemic, JOSS is currently operating in a "reduced service mode". You can read more about what that means in our blog post. ⭐ Important ⭐ If you haven't already, you should seriously consider unsubscribing from GitHub notifications for this (https://github.com/openjournals/joss-reviews) repository. As a reviewer, you're probably currently watching this repository which means for GitHub's default behaviour you will receive notifications (emails) for all reviews 😿 To fix this do the following two things:
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Copying @roderickmackenzie's comments from the pre-review issue #3412 ... Hi There!, I am happy to take a look but will need a few days to compile and poke at the code base. I've not used Pascal since the Borland Delphi days of 2000.. I've read the manual and had a quick poke around. Some initial comments are: Here are some general questions to kick off with: Your use of the V in equations 2.1 -2.6 is a bit confusing because commonly V is only used in the DD equations when hetero-junctions are not taken into account. When the model has been adjusted to handle hetero-junctions (as yours seems to be 2.13-2.14) it's conmen to write Ec and Ev in the DD equations instead of V, to explicitly say that heterosteps can drive current. This is especially confusing as your fig 2.1 shows hetero steps so made me scratch me head as soon as I started reading until I reached the interfaces section. If you rewrite in terms of Ec and Ev you can get rid of equations 2.13-2.14, it would make the description look more like the classical DD literature as used for things like the III-V materials - and make things a bit clearer. As I understand it there are two parts to the model a transient part and a steady state parts. In the intro you talk about transient photovoltage and AC analysis. However your equation 2.22 is the steady state form of the SRH equation, so you are assuming your trapped carrier distribution is in quasi-steady state. This means that although you can do time domain simulations your trapped carriers will always think they are in quasi-equilibrium. This won't matter for DC or for slow small perturbation stuff. But you won't for example be able to simulate things far from equilibrium, e.g. ToF transients are an extreme example of this where carriers are initially captured then gradually released from deeper and deeper traps as time goes on. TPV transients could also meet this large signal condition depending on the power of the laser pulse, and AC depending on carrier trapping/detrapping rates and the frequency you are at (and trap depth). CELIV will also fall into large perturbation regime etc... etc... I think the user should be alerted to the fact that your carriers are in SS and the model does not explicitly solve the SRH equations in time domain. Many users won't grasp this so I think it needs to be clearly pointed out and what the implications of this are for results. I'm assuming that your trapped carriers introduced through equation 2.22 don't interact with the field? As for some devices (organics) quite a lot of the charge will be trapped (>90%) so this could affect the results. If the trapped charge does not affect the field I think the user should also be told about this in the manual. Maybe include a limitations section in the manual? Again, it depends on what the user is using the code for. If it's some perovskite device with not many traps then this may not be an issue, but if it's some ultra trappy organic thing then.. I think my main concern with points 2 and 3 is that the user knows what he/she is dealing with. There are a tonne of papers where people just use software (aka COMSOL etc..) to produce a paper without understand what is going on under the hood and results in miss interpretation of data which is not a good thing. Would be nice if you could add some makefiles. Also would be good if you could tell me (the user) which package I need to install on Ubuntu to get pascal. I'm not super excited about installing free pascal binaries from anything but the Ubuntu repos due to security reasons. best, |
@ljakoster, I think Rod's comments above give a solid starting point for things to address on the technical side. I wanted to jump in with a slightly more "administrative" query as well: Given that this code has been around for a long time and has suggested citations in the repo, it's important that we ensure this submission isn't in violation of JOSS's self-plagiarism policy. Can you clarify what aspects of this submission have not been previously published? |
@rkurchin, good point. We have only published brief descriptions of the
code as one does in the method-section of a paper. So, only the
mathematical form of the equations and the iteration loop (simplified). The
difference equations, the code, the parameters, the manual are all new.
jan anton
…--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
On Wed, 15 Sept 2021 at 15:19, Rachel Kurchin ***@***.***> wrote:
@ljakoster <https://github.com/ljakoster>, I think Rod's comments above
give a solid starting point for things to address on the technical side. I
wanted to jump in with a slightly more "administrative" query as well:
Given that this code has been around for a long time and has suggested
citations in the repo, it's important that we ensure this submission isn't
in violation of JOSS's self-plagiarism policy. Can you clarify what aspects
of this submission have *not* been previously published?
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I am bit confused by documentation to compile it. Sorry, my previous experience was in Object Pascal using Delphi IDE. So it might be helpful to get more clarification on how to compile it. Specifically I am thrown off by the bracket placeholder ( [zimbt] )... is this supposed to be the path to the ZimbT folder? |
We'll improve the description of how to compile the code (and where to get
the compiler re Rod's comments). About ZimT, it should work by 1)
installing the fpc compiler (no IDE is needed)
2) go to the ZimT folder (note: no b in spelling).
3) type fpc zimt.pas
jan anton
--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
…On Thu, 16 Sept 2021 at 21:40, UTH-Tuan ***@***.***> wrote:
I am bit confused by documentation to compile it. Sorry, my previous
experience was in Object Pascal using Delphi IDE. So it might be helpful to
get more clarification on how to compile it. Specifically I am thrown off
by the bracket placeholder ( [zimbt] )... is this supposed to be the path
to the ZimbT folder?
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@shahmoradi, reminder to get your checklist started! Similarly for @UTH-Tuan, assuming the comments from @ljakoster above resolve your issues... |
Followup ping to reviewers @UTH-Tuan @shahmoradi! |
👋 @shahmoradi, please update us on how your review is going (this is an automated reminder). |
👋 @roderickmackenzie, please update us on how your review is going (this is an automated reminder). |
👋 @UTH-Tuan, please update us on how your review is going (this is an automated reminder). |
@whedon Waiting for blockers from first review to be resolved. |
I'm sorry human, I don't understand that. You can see what commands I support by typing:
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@ljakoster, any updates on Rod's review? @UTH-Tuan, did the response above help you to compile the code? @shahmoradi, reminder to please start your review! |
@rkurchin nope, I was kind of waiting for the reviews by the other
reviewers so we can deal with them in 1 go. However, we will start working
on Rod's comments. On a more technical note: how do I do this? do I simply
address the issues, put a rebuttal somewhere and upload a new version on
Github?
…--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
On Tue, 5 Oct 2021 at 14:54, Rachel Kurchin ***@***.***> wrote:
@ljakoster <https://github.com/ljakoster>, any updates on Rod's review?
@UTH-Tuan <https://github.com/UTH-Tuan>, did the response above help you
to compile the code?
@shahmoradi <https://github.com/shahmoradi>, reminder to please start
your review!
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Make any updates to the code and/or manuscript that are needed to address the issues, and describe the changes here (or, if you prefer to open issues in your own repository to track things individually, that's also fine, just mention this issue in them and link to them here). If you update the manuscript, you can refresh the proof here by running |
Comments for the authors:
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@UTH-Tuan, were you able to run the code and begin your review? |
|
👋 @openjournals/joss-eics, this paper is ready to be accepted and published. Check final proof 👉 openjournals/joss-papers#2933 If the paper PDF and Crossref deposit XML look good in openjournals/joss-papers#2933, then you can now move forward with accepting the submission by compiling again with the flag
|
@rkurchin: we have checked the proof and it looks perfect, thanks!
--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
…On Tue, Feb 8, 2022 at 7:23 PM whedon ***@***.***> wrote:
👋 @openjournals/joss-eics
<https://github.com/orgs/openjournals/teams/joss-eics>, this paper is
ready to be accepted and published.
Check final proof 👉 openjournals/joss-papers#2933
<openjournals/joss-papers#2933>
If the paper PDF and Crossref deposit XML look good in
openjournals/joss-papers#2933
<openjournals/joss-papers#2933>, then you can now
move forward with accepting the submission by compiling again with the flag
deposit=true e.g.
@whedon accept deposit=true from branch paper
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Hi @ljakoster! A few last items:
|
@whedon <https://github.com/whedon> generate pdf from branch paper
…--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
On Thu, Feb 10, 2022 at 12:37 AM Kristen Thyng ***@***.***> wrote:
Hi @ljakoster <https://github.com/ljakoster>! A few last items:
1. zenodo and version look good.
2. I recommend putting `` around SIMsalabim so it stands out as
software.
3. Is Hu et al missing a title?
4. MacKenzie et al seems like it is missing information?
5. Do your references just happen to stop at M? Seems odd.
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I'm sorry human, I don't understand that. You can see what commands I support by typing:
|
@whedon generate pdf from branch paper
--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
On Thu, Feb 10, 2022 at 10:33 AM Jan Anton Koster ***@***.***>
wrote:
… @whedon <https://github.com/whedon> generate pdf from branch paper
--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
On Thu, Feb 10, 2022 at 12:37 AM Kristen Thyng ***@***.***>
wrote:
> Hi @ljakoster <https://github.com/ljakoster>! A few last items:
>
> 1. zenodo and version look good.
> 2. I recommend putting `` around SIMsalabim so it stands out as
> software.
> 3. Is Hu et al missing a title?
> 4. MacKenzie et al seems like it is missing information?
> 5. Do your references just happen to stop at M? Seems odd.
>
> —
> Reply to this email directly, view it on GitHub
> <
#3727 (comment)
>,
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Dear Kristen,
thanks for your email.
2: thanks, done.
3: yes, this was missing; we've added the title, looks like this was a
BibTeX issue.
4: This is a reference to an internet site. We've asked this author (= one
of the reviewers) how they would like to be cited and they have provided
this reference.
5: that is odd, yet correct!
best wishes,
Jan Anton
--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
…On Thu, Feb 10, 2022 at 10:36 AM whedon ***@***.***> wrote:
👉📄 Download article proof
<https://raw.githubusercontent.com/openjournals/joss-papers/joss.03727/joss.03727/10.21105.joss.03727.pdf>
📄 View article proof on GitHub
<https://github.com/openjournals/joss-papers/blob/joss.03727/joss.03727/10.21105.joss.03727.pdf>
📄 👈
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@ljakoster ok! One thing — I meant `` around your software name throughout the paper, but it is up to you. Would you like to change that before we accept the final version of the paper? |
Dear Kristen,
ah, sorry, we misunderstood. We've changed all mentions of SIMsalabim to
the `` version.
best wishes,
Jan Anton
…--
Prof. Dr. L.J.A. (Jan Anton) Koster
Zernike Institute for Advanced Materials
University of Groningen
open-source simulator for perovskite and organic PV
<https://github.com/kostergroup/SIMsalabim>
group website <http://www.koster-group.nl>
On Thu, Feb 10, 2022 at 9:09 PM Kristen Thyng ***@***.***> wrote:
@ljakoster <https://github.com/ljakoster> ok! One thing — I meant ``
around your software name throughout the paper, but it is up to you. Would
you like to change that before we accept the final version of the paper?
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@whedon generate pdf from branch paper |
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Ok everything looks great! |
@whedon accept deposit=true from branch paper |
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Congratulations on your new publication @ljakoster! Many thanks to editor @rkurchin and reviewers @UTH-Tuan, @shahmoradi, and @roderickmackenzie for your time, hard work, and expertise!! |
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Submitting author: @ljakoster (Lambert Jan Anton Koster)
Repository: https://github.com/kostergroup/SIMsalabim
Version: v4.29-JOSS
Editor: @rkurchin
Reviewer: @UTH-Tuan, @shahmoradi, @roderickmackenzie
Archive: 10.5281/zenodo.6010442
Due to the challenges of the COVID-19 pandemic, JOSS is currently operating in a "reduced service mode". You can read more about what that means in our blog post.
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