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- Creator:
- Lee, Shih Kuang, Tsai, Sun Ting, and Glotzer, Sharon C.
- Description:
- The trajectory data and codes were generated for our work "Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation" (amidst peer review process). The data sets contain trajectory data in GSD file format for 7 test systems, including cubic structures, two-dimensional and three-dimensional patchy particle shape systems, hexagonal bipyramids with two aspect ratios, and truncated shapes with two degrees of truncation. Besides, the corresponding Python code and Jupyter notebook used to perform data augmentation, MLP classifier training, and MLP classifier testing are included.
- Keyword:
- Machine Learning, Colloids Self-Assembly, Crystallization, and Order Parameter
- Citation to related publication:
- https://doi.org/10.48550/arXiv.2312.11822
- Discipline:
- Other, Science, and Engineering
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- Creator:
- Sun, Hu, Ren, Jiaen, Chen, Yang, Zou, Shasha, Chang, Yurui, Wang, Zihan, and Coster, Anthea
- Description:
- Our research focuses on providing a fully-imputed map of the worldwide total electron content with high resolution and spatial-temporal smoothness. We fill in the missing values of the original Madrigal TEC maps via estimating the latent feature of each latitude and local time along the 2-D grid and give initial guess of the missing regions based on pre-computed spherical harmonics map. The resulting TEC map has high imputation accuracy and the ease of reproducing. All data are in HDF5 format and are easy to read using the h5py package in Python. The TEC map is grouped in folders based on years and each file contains a single-day data of 5-min cadence. Each individual TEC map is of size 181*361. and WARNING: 2023-12-01 the data file for 2019-Jan-03 has badly fitted values. Please avoid using it. All other days' files are ready to use.
- Keyword:
- Total Electron Content, Matrix Completion, VISTA, Spherical Harmonics, and Spatial-Temporal Smoothing
- Citation to related publication:
- Sun, H., Hua, Z., Ren, J., Zou, S., Sun, Y., & Chen, Y. (2022). Matrix completion methods for the total electron content video reconstruction. The Annals of Applied Statistics, 16(3), 1333-1358., Sun, H., Chen, Y., Zou, S., Ren, J., Chang, Y., Wang, Z., & Coster, A. (2023). Complete Global Total Electron Content Map Dataset based on a Video Imputation Algorithm VISTA. Scientific Data, in press., and Zou, S., Ren, J., Wang, Z., Sun, H., & Chen, Y. (2021). Impact of storm-enhanced density (SED) on ion upflow fluxes during geomagnetic storm. Frontiers in Astronomy and Space Sciences, 8, 746429.
- Discipline:
- Science and Engineering
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- Creator:
- Ponder, Brandon M., Ridley, Aaron J., Bougher, Stephen W., Pawlowski, David, and Brecht, Amanda
- Description:
- This research was completed to introduce a state-of-the-art Venus GCM to the modeling community. Validation studies were performed to give credence to the model's results. and This data set is made available under a Creative Commons Public Domain license (CC0 1.0). The python scripts contained were ran on macOS Monterey version 12.7 with Python 3.9. Numpy version: 1.19.4 Pandas version: 1.2.0
- Keyword:
- Venus, GITM, Ionosphere, Thermosphere, Solar minimum, Navier-stokes, Fluid dynamics, Shocks, V-GITM, and VGITM
- Citation to related publication:
- Ponder, Brandon & Ridley, Aaron J. & Bougher, Stephen W. & Pawlowski, D. & Brecht, A. (2023). The Venus Global Ionosphere-Thermosphere Model (V-GITM): A Coupled Thermosphere and Ionosphere Formulation. JGR Planets. In Press.
- Discipline:
- Science
-
- Creator:
- Hung, Adam, Enninful Adu, Challen, and Moore, Talia Y.
- Description:
- The CAD files can be opened by any CAD software. The code is in Arduino and Python. The URDF was generated using Solidworks.
- Keyword:
- robotics, omnidirectional, tripod, ballbot, gliding, and rolling
- Citation to related publication:
- Hung, A., Enninful Adu, C., Moore, T.Y. (in review), SKOOTR: A SKating, Omni-Oriented, Tripedal Robot for dynamically stable indoor navigation. IEEE ICRA
- Discipline:
- Engineering
-
- Creator:
- Ponder, Brandon M., Ridley, Aaron J., Goel, Ankit, and Bernstein, Dennis S.
- Description:
- This research was completed to statistically validate that a data-model refinement technique could integrate real measurements to remove bias from physics-based models via changing the forcing parameters such as the thermal conductivity coefficients.
- Keyword:
- Thermosphere, GITM, CHAMP, GRACE, MSIS, Upper Atmosphere Modeling, and Data Assimilation
- Citation to related publication:
- Ponder, B. M., Ridley, A. J., Goel, A., & Bernstein, D. S. (2023). Improving forecasting ability of GITM using data-driven model refinement. Space Weather, 21, e2022SW003290. https://doi.org/10.1029/2022SW003290
- Discipline:
- Engineering and Science
-
Supporting data: Domain-agnostic predictions of nanoscale interactions in proteins and nanoparticles
- Creator:
- Saldinger, Jacob, Raymond, Matt , Elvati, Paolo, and Violi, Angela
- Description:
- The accurate and rapid prediction of generic nanoscale interactions is a challenging problem with broad applications. Much of biology functions at the nanoscale, and our ability to manipulate materials and purposefully engage biological machinery requires knowledge of nano-bio interfaces. While several protein-protein interaction models are available, they leverage protein-specific information, limiting their abstraction to other structures. Here, we present NeCLAS, a general, and rapid machine learning pipeline that predicts the location of nanoscale interactions, providing human-intelligible predictions. Two key aspects distinguish NeCLAS: coarse-grained representations, and the use of environmental features to encode the chemical neighborhood. We showcase NeCLAS with challenges for protein-protein, protein-nanoparticle and nanoparticle-nanoparticle systems, demonstrating that NeCLAS replicates computationally- and experimentally-observed interactions. NeCLAS outperforms current nanoscale prediction models, and it shows cross-domain validity, qualifying as a tool for basic research, rapid prototyping, and design of nanostructures., Software: - To reproduce all-atom molecular dynamics (MD) NAMD is required (version 2.14 or later is suggested). NAMD software and documentation can be found at https://www.ks.uiuc.edu/Research/namd/, - To reproduce coarse-grained MD simulations, LAMMPS (version 29 Sep 2021 - Update 2 or later is suggested). LAMMPS software and documentation can be found at https://www.lammps.org, - To rebuild free energy profiles, the PLUMED plugin (version 2.6) was used. PLUMED software and documentation can be found at https://www.plumed.org/ , and - To generate force matching potentials, the was used the OpenMSCG software was used. OpenMSCG software and documentation can be found at https://software.rcc.uchicago.edu/mscg/
- Keyword:
- Neural Networks, Proteins, Dimensionality Reduction, Nanoparticles, and Coarse-Graining
- Citation to related publication:
- https://www.biorxiv.org/content/10.1101/2022.08.09.503361v2
- Discipline:
- Science
-
- Creator:
- Sun, Hu, Ren, Jiaen, Chen, Yang, and Zou, Shasha
- Description:
- Our research focuses on providing a fully-imputed map of the worldwide total electron content with high resolution and spatial-temporal smoothness. We fill in the missing values of the original Madrigal TEC maps via estimating the latent feature of each latitude and local time along the 2-D grid and give initial guess of the missing regions based on pre-computed spherical harmonics map. The resulting TEC map has high imputation accuracy and the ease of reproducing. and All data are in HDF5 format and are easy to read using the h5py package in Python. The TEC map is grouped in folders based on years and each file contains a single-day data of 5-min cadence. Each individual TEC map is of size 181*361.
- Keyword:
- Total Electron Content, Matrix Completion, VISTA, Spherical Harmonics, and Spatial-Temporal Smoothing
- Citation to related publication:
- Sun, H., Hua, Z., Ren, J., Zou, S., Sun, Y., & Chen, Y. (2020). Matrix Completion Methods for the Total Electron Content Video Reconstruction. arXiv preprint arXiv:2012.01618. and Zou, S., Ren, J., Wang, Z., Sun, H., & Chen, Y. (2021). Impact of Storm-Enhanced Density (SED) on Ion Upflow Fluxes During Geomagnetic Storm. Frontiers in Astronomy and Space Sciences, 162.
- Discipline:
- Science
-
- Creator:
- Eckels, Joshua D.
- Description:
- The goal of the research was to train a surrogate model for the prediction of electric field distribution for a given electrospray emitter geometry design. The surrogate is to be used in reduced-fidelity modeling of electrospray thruster arrays. The code repository is included in the README.txt file.
- Keyword:
- Electrospray design, Martinez-Sanchez hyperboloid solution, and Electrospray engineering toolkit (ESPET)
- Citation to related publication:
- J.D. Eckels, C.B. Whittaker, B.A. Jorns, A.A. Gorodetsky, B. St. Peter, R.A. Dressler, “Simulation-based surrogate methodology of electric field for electrospray emitter geometry design and uncertainty quantification”, presented at the 37th International Electric Propulsion Conference, Boston, MA USA, June19-23, 2022 Available: https://www.electricrocket.org/IEPC_2022_Papers.html
- Discipline:
- Engineering
-
- Creator:
- Liemohn, Michael W, Adam, Joshua G, and Ganushkina, Natalia Y
- Description:
- Many statistical tools have been developed to aid in the assessment of a numerical model’s quality at reproducing observations. Some of these techniques focus on the identification of events within the data set, times when the observed value is beyond some threshold value that defines it as a value of keen interest. An example of this is whether it will rain, in which events are defined as any precipitation above some defined amount. A method called the sliding threshold of observation for numeric evaluation (STONE) curve sweeps the event definition threshold of both the model output and the observations, resulting in the identification of threshold intervals for which the model does well at sorting the observations into events and nonevents. An excellent data-model comparison will have a smooth STONE curve, but the STONE curve can have wiggles and ripples in it. These features reveal clusters when the model systematically overestimates or underestimates the observations. This study establishes the connection between features in the STONE curve and attributes of the data-model relationship. The method is applied to a space weather example.
- Keyword:
- space physics, statistical methods, and STONE curve
- Citation to related publication:
- Liemohn, M. W., Adam, J. G., & Ganushkina, N. Y. (2022). Analysis of features in a sliding threshold of observation for numeric evaluation (STONE) curve. Space Weather, 20, e2022SW003102. https://doi.org/10.1029/2022SW003102
- Discipline:
- Science
-
- Creator:
- Brenner, Austin, M
- Description:
- Coupling between the solar wind and magnetosphere can be expressed in terms of energy transfer through the separating boundary known as the magnetopause. Geospace simulation is performed using the Space Weather Modeling Framework (SWMF) of a multi-ICME impact event on February 18-20, 2014 in order to study the energy transfer through the magnetopause during storm conditions. The magnetopause boundary is identified using a modified plasma $\beta$ and fully closed field line criteria to a downstream distance of $-20R_{e}$. Observations from Geotail, Themis, and Cluster are used as well as the Shue 1998 model to verify the simulation field data results and magnetopause boundary location. Once the boundary is identified, energy transfer is calculated in terms of total energy flux \textbf{K}, Poynting flux \textbf{S}, and hydrodynamic flux \textbf{H}. Surface motion effects are considered and the regional distribution of energy transfer on the magnetopause surface is explored in terms of dayside $\left(X>0\right)$, flank $\left(X<0\right)$, and tail cross section $\left(X=X_{min}\right)$ regions. It is found that total integrated energy flux over the boundary is nearly balanced between injection and escape, and flank contributions dominate the Poynting flux injection. Poynting flux dominates net energy input, while hydrodynamic flux dominates energy output. Surface fluctuations contribute significantly to net energy transfer and comparison with the Shue model reveals varying levels of cylindrical asymmetry in the magnetopause flank throughout the event. Finally existing energy coupling proxies such as the Akasofu $\epsilon$ parameter and Newell coupling function are compared with the energy transfer results.
- Keyword:
- Space plasma, Magnetosphere, MHD simulations, Magnetopause, Substorm, Energy transfer, and Poynting flux
- Citation to related publication:
- Brenner A, Pulkkinen TI, Al Shidi Q and Toth G (2021) Stormtime Energetics: Energy Transport Across the Magnetopause in a Global MHD Simulation. Front. Astron. Space Sci. 8:756732. doi: 10.3389/fspas.2021.756732
- Discipline:
- Science