Archive of the iSALE simulation datasets for Jackson et al. 2022, "Impact generation of holes in the early lunar crust I: scaling relations"

Archive of the iSALE simulation datasets used in Jackson et al. 2022, "Impact generation of holes in the early lunar crust I: scaling relations".

This archive contains all necessary information to re-run any of the simulations in the dataset along with plots that can be used to check the outcomes of each simulation.  In addition, it also contains a full compilation of all of the derived data used in Jackson et al. 2022 as well as the analysis scripts used to extract that data from the simulations and the scripts that use the derived data to generate the figures in the manuscript.

The archive is provided in a standard compressed (.zip) format.

Detailed description of the contents

Note that this description can also be found in the ReadMe file provided with the archive

1) Simulation folders

The folder 'simsmain' contains files for the iSALE2D simulations that comprise the primary simulation database.

For each simulation we provide:

asteroid.inp - the initialisation file for the simulation that would allow it to be re-run

[].dat - a text file containing data derived from the final simulation output.  These values from all simulations are compiled in alldata.csv.  A description of the columns is provided below for alldata.csv

[]-Crthickprof.pdf - a figure showing the radial crust thickness profile at the end of the simulation. Light pink shows the cell-by-cell profile, solid red a moving average.

[]-Damprof.pdf - a figure showing the radial profile of the mean damage factor (averaged over the depth of the crust at each radial cell) at the end of the simulation.  Light grey shows the cell-by-cell profile, solid black a moving average.

[]-TmpDam.dpdf - a figure showing the temperature and damage structure of the entire high-resolution zone at the end of the simulation at 1:1 aspect ratio (i.e. square cells are square in the image).  The boundary of the crust is outlined in black.

[]-TmpDam-zoom.pdf - as above, but zoomed in on the central region of interest in the simulation.  This image is stretched to highlight the region of interest (i.e. square cells are not square in the image).

[]-temporal.dat - a text file containing data derived from the full simulation time series.  These values from all simulations are compiled in alldata_temporal.csv.  A description of the columns is provided below for alldata_temporal.csv

[]-crdepthtime.png - a figure showing the change in the maximum depression of the upper surface of the simulation over time.  This records the excavation and collapse of the initial transient cavity.

[]-holeradtime.png - a figure recording the radius of the hole (as measured by the locations at which the crust thickness passes 90 and 95 percent of the initial value) over time.  A final plateau is indicative of the simulation having settled.

[]-holevoltime.png - a figure recording the volume of the hole within the 95% crust thickness radius over time.

[]-trcavtime.png - a figure recording the volume of the surface depression over time.  This can be quite sensitive to small fluctuations at the edges of the surface depression and does not always plateau.

Within simsmain each sub-folder is named in the format dW_vX_cY_gZ, where d is the diameter of the impactor (in km), v is the impact velocity (in m/s), c is the crust thickness (in km) and g is the grid resolution of the high-resolution zone (in km).  W, X, Y and Z are all in exponential notation with two significant figures (i.e. N.NE+NN).

The folder 'simsres' contains files for the additional iSALE2D simulations run for resolution testing purposes.  These files have the same formats and naming conventions as simsmain.

The folder 'material' contains the file material.inp, the initialisation file for the material properties which is common to all of the simulations.

2) Analysis scripts

The folder 'analysisscripts' contains the Python scripts that were used to generate the files in simsmain and simsres.  There are two scripts, iSALEanalysis_batch.py which generates the end-of-simulation plots and data, and iSALEanalysis_batch_temporal.py which generates the time series plots and data.  The temporal script typically takes around 400 times longer to run than the end-of-simulation script since the former must examine all (usually 800) timesteps, whereas the end-of-simulation script examines only the first and last timestep.

3) Figures

The folder 'figures' contains CSV files summarising all of the data derived from the iSALE2D simulations along with plotting scripts that use this derived data to generate the plots in Jackson et al. 2022.

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alldata.csv is a compilation of the data in the [].dat files for all 252 simulations in the primary simulation database.  There are 14 columns which in order are:

dimp        - impactor diameter in km

vimp        - impact velocity in km/s

crd         - initial crust thickness in km

tdat        - simulation time (in seconds) at which the data was taken

gres        - grid resolution in the high-resolution zone in km

rhires      - radius of the high-resolution zone in km

r_thincr0_95- radial distance (in km) at which the crust thickness exceeds 95% of the initial value

r_thincr0_9 - radial distance (in km) at which the crust thickness exceeds 90% of the initial value

r_magcr     - radius (in km) within which there is direct exposure of magma to the surface (i.e. crust thickness is zero)

r_frac09    - radial distance (in km) within which the vertically averaged damage factor in the crust exceeds 0.9

r_frac08    - radial distance (in km) within which the vertically averaged damage factor in the crust exceeds 0.8

r_frac05    - radial distance (in km) within which the vertically averaged damage factor in the crust exceeds 0.5

holevolume  - volume (in km^3) of crust excavated from within r_thincr0_95

comment2    - impact regime classification, 'partial'= partial penetration, 'complete' = complete penetration, 'cfd' = cratering with full-depth fracturing, 'classical' = classical crater.

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alldata_temporal.csv is a compilation of the data in the []-temporal.dat files for all 252 simulations in the primary simulation database.  There are 20 columns which in order are:

dimp        - impactor diameter in km

vimp        - impact velocity in m/s (Note the difference from alldata.csv)

crd         - initial crust thickness in km

tdat        - simulation time (in seconds) at which the data was taken

gres        - grid resolution in the high-resolution zone in km

rhires      - radius of the high-resolution zone in km

r_thincr0_95- radial distance (in km) at which the crust thickness exceeds 95% of the initial value

r_thincr0_9 - radial distance (in km) at which the crust thickness exceeds 90% of the initial value

r_magcr     - radius (in km) within which there is direct exposure of magma to the surface (i.e. crust thickness is zero)

r_frac09    - radial distance (in km) within which the vertically averaged damage factor in the crust exceeds 0.9

r_frac08    - radial distance (in km) within which the vertically averaged damage factor in the crust exceeds 0.8

r_frac05    - radial distance (in km) within which the vertically averaged damage factor in the crust exceeds 0.5

holevolume  - volume (in km^3) of crust excavated from within r_thincr0_95

mcrd        - maximum depth of the transient cavity in km

t_mcrd      - simulation time (in seconds) at which transient cavity reaches maximum depth

trcav_mcrd  - volume (in km^3) of the transient cavity at the time of maximum depth

mtrcav      - maximum volume of the transient cavity

t_mtrcav    - simulation time (in seconds) at which transient cavity reaches maximum volume

crd_mtrcav  - depth of the transient cavity (in km) at the time of maximum volume

comment2    - impact regime classification, 'partial'= partial penetration, 'complete' = complete penetration, 'cfd' = cratering with full-depth fracturing, 'classical' = classical crater.

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restest-rthin.csv and restest-frac.csv are in the same format as alldata.csv and contain the data for the sets of simulations used to test the resolution dependence of r_thin and r_frac respectively.

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There are 7 Python plotting scripts:

plotter_main.py - the main plotting script, produces plots that don't fall under another heading

plotter_KE.py   - produces plots as a function of impact kinetic energy

plotter_temporal.py - produces plots using time series data from alldata_temporal

plotter_cox.py  - produces plots comparing our results to those of Bray et al. 2014, Cox et al. 2008, Cox & Bauer 2015 and Miljkovic et al. 2015.  Note that we do not include the CSV files containing the data from those papers since it is not ours to distribute, however they can be easily extracted from the relevant publications.

plotter_res.py  - produces resolution comparison plots

plotter_pi.py   - produces Pi-scaling plots

kplot-sims.py   - produces a plot of the 'k' factor (hole size/impactor mass) for comparison with Perera et al. 2018

All of the plots and fitting summaries produced by the plotting scripts are also included

本数据集档案为Jackson等人2022年发表于《早期月壳孔洞的撞击成因I：标度关系》（Impact generation of holes in the early lunar crust I: scaling relations）一文所使用的iSALE模拟数据集（iSALE simulation datasets）归档。

该归档包含复现数据集中所有模拟所需的全部信息，以及可用于校验各模拟结果的配套绘图文件。此外，归档还完整收录了Jackson等人2022年研究中使用的所有衍生数据，以及用于从模拟结果中提取该类数据的分析脚本，和利用衍生数据生成论文配图的绘图脚本。

本归档采用标准ZIP压缩格式（.zip）打包。

详细内容说明
请注意，本说明亦可在归档附带的ReadMe文件中查阅。

1) 模拟文件夹
文件夹'simsmain'包含构成核心模拟数据库的iSALE2D模拟（iSALE2D simulation）相关文件。针对每个模拟，我们提供以下文件：
asteroid.inp：模拟初始化文件，可用于复现该模拟；
[].dat：文本文件，存储从模拟最终输出中提取的数值数据，所有模拟的此类数据已汇总至alldata.csv（逗号分隔值文件，CSV）中，下文将对alldata.csv的列字段进行说明；
[]-Crthickprof.pdf：展示模拟结束时径向壳厚度剖面的图像，浅粉色代表逐单元剖面，纯红色代表移动平均剖面；
[]-Damprof.pdf：展示模拟结束时平均损伤因子径向剖面的图像（按每个径向单元对应壳层深度平均），浅灰色代表逐单元剖面，纯黑色代表移动平均剖面；
[]-TmpDam.dpdf：展示模拟结束时高分辨率区域内温度与损伤结构的图像，采用1:1长宽比（即图像中单元格为正方形），壳层边界以黑色勾勒；
[]-TmpDam-zoom.pdf：与上述图像内容一致，但针对模拟核心关注区域进行放大，图像经拉伸以突出目标区域（即图像中单元格不再为正方形）；
[]-temporal.dat：文本文件，存储从完整模拟时间序列中提取的数值数据，所有模拟的此类数据已汇总至alldata_temporal.csv（逗号分隔值文件，CSV）中，下文将对alldata_temporal.csv的列字段进行说明；
[]-crdepthtime.png：展示模拟过程中模拟上表面最大凹陷随时间变化的图像，记录了初始瞬态空腔（transient cavity）的挖掘与坍缩过程；
[]-holeradtime.png：记录孔洞半径随时间变化的图像（孔洞半径以壳厚度恢复至初始值90%和95%的位置为基准测算），最终出现平稳平台则代表模拟已趋于稳定；
[]-holevoltime.png：记录以壳厚度恢复至初始值95%的半径为边界的孔洞体积随时间变化的图像；
[]-trcavtime.png：记录地表凹陷体积随时间变化的图像，该指标对地表凹陷边缘的微小波动较为敏感，并非总能呈现平稳平台。

simsmain内的子文件夹命名格式为dW_vX_cY_gZ，其中d代表撞击体直径（单位：km），v代表撞击速度（单位：m/s），c代表壳层厚度（单位：km），g代表高分辨率区域的网格分辨率（单位：km）。W、X、Y、Z均采用两位有效数字的指数计数法（格式为N.NE+NN）。
文件夹'simsres'包含用于分辨率测试的额外iSALE2D模拟相关文件，其文件格式与命名规则与simsmain一致。
文件夹'material'包含material.inp文件，即所有模拟通用的物质属性初始化文件。

2) 分析脚本
文件夹'analysisscripts'包含用于生成simsmain与simsres中文件的Python脚本（Python script），共两个：iSALEanalysis_batch.py用于生成模拟结束后的绘图与数据文件，iSALEanalysis_batch_temporal.py用于生成时间序列绘图与数据文件。由于前者仅需读取初始与最终两个时间步，而后者需遍历所有（通常为800个）时间步，因此时间序列脚本的运行时长通常约为前者的400倍。

3) 配图文件
文件夹'figures'包含汇总所有iSALE2D模拟衍生数据的CSV文件，以及利用该衍生数据生成Jackson等人2022年论文配图的绘图脚本。

alldata.csv说明
alldata.csv汇总了核心模拟数据库中全部252个模拟对应的[].dat文件中的数据，共包含14个列字段，按顺序分别为：
dimp：撞击体直径，单位：km
vimp：撞击速度，单位：km/s
crd：初始壳层厚度，单位：km
tdat：数据采集时的模拟时间，单位：s
gres：高分辨率区域的网格分辨率，单位：km
rhires：高分辨率区域的半径，单位：km
r_thincr0_95：壳厚度超过初始值95%的径向距离，单位：km
r_thincr0_9：壳厚度超过初始值90%的径向距离，单位：km
r_magcr：岩浆直接出露至地表的径向范围半径（即壳厚度为0的区域），单位：km
r_frac09：壳层垂直平均损伤因子超过0.9的径向范围半径，单位：km
r_frac08：壳层垂直平均损伤因子超过0.8的径向范围半径，单位：km
r_frac05：壳层垂直平均损伤因子超过0.5的径向范围半径，单位：km
holevolume：以r_thincr0_95为边界的孔洞开挖体积，单位：km³
comment2：撞击状态分类，'partial'为部分穿透，'complete'为完全穿透，'cfd'为全深度断裂成坑，'classical'为经典成坑模式。

alldata_temporal.csv说明
alldata_temporal.csv汇总了核心模拟数据库中全部252个模拟对应的[]-temporal.dat文件中的数据，共包含20个列字段，按顺序分别为：
dimp：撞击体直径，单位：km
vimp：撞击速度，单位：m/s（注意与alldata.csv中的单位存在差异）
crd：初始壳层厚度，单位：km
tdat：数据采集时的模拟时间，单位：s
gres：高分辨率区域的网格分辨率，单位：km
rhires：高分辨率区域的半径，单位：km
r_thincr0_95：壳厚度超过初始值95%的径向距离，单位：km
r_thincr0_9：壳厚度超过初始值90%的径向距离，单位：km
r_magcr：岩浆直接出露至地表的径向范围半径（即壳厚度为0的区域），单位：km
r_frac09：壳层垂直平均损伤因子超过0.9的径向范围半径，单位：km
r_frac08：壳层垂直平均损伤因子超过0.8的径向范围半径，单位：km
r_frac05：壳层垂直平均损伤因子超过0.5的径向范围半径，单位：km
holevolume：以r_thincr0_95为边界的孔洞开挖体积，单位：km³
mcrd：瞬态空腔的最大深度，单位：km
t_mcrd：瞬态空腔达到最大深度时的模拟时间，单位：s
trcav_mcrd：瞬态空腔达到最大深度时的体积，单位：km³
mtrcav：瞬态空腔的最大体积，单位：km³
t_mtrcav：瞬态空腔达到最大体积时的模拟时间，单位：s
crd_mtrcav：瞬态空腔达到最大体积时的深度，单位：km
comment2：撞击状态分类，'partial'为部分穿透，'complete'为完全穿透，'cfd'为全深度断裂成坑，'classical'为经典成坑模式。

补充CSV文件说明
restest-rthin.csv与restest-frac.csv格式与alldata.csv一致，分别包含用于测试r_thin与r_frac的分辨率依赖性的模拟数据集。

绘图脚本说明
本归档共包含7个Python绘图脚本：
plotter_main.py：主绘图脚本，生成未归入其他类别的配图
plotter_KE.py：生成以撞击动能为自变量的绘图
plotter_temporal.py：利用alldata_temporal中的时间序列数据生成绘图
plotter_cox.py：生成与Bray等人2014年、Cox等人2008年、Cox & Bauer 2015年以及Miljkovic等人2015年研究结果的对比绘图。需注意，由于版权限制，本归档未包含上述研究的CSV数据文件，但可从对应公开出版物中便捷获取。
plotter_res.py：生成分辨率对比绘图
plotter_pi.py：生成Pi标度绘图
kplot-sims.py：生成“k”因子（孔洞尺寸/撞击体质量）的绘图，用于与Perera等人2018年的研究结果对比。

所有绘图脚本生成的配图与拟合汇总文件也已包含在归档中。