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- 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:
- 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:
- Jones, Monica L.H.
- Description:
- These manikins represent body shape models for children weighing 9 to 23 kg in a seated posture relevant to child restraint design. The design of child restraints is guided in part by anthropometric data describing the distributions of body dimensions of children. However, three-dimensional body shape data have not been available for children younger than three years of age. These manikins will be useful for assessing child accommodation in restraints. The SBSM can also provide guidance for the development of anthropomorphic test devices and computational models of child occupants. The sampled manikins were predicted for a range of torso length and body weight dimensions. The SBSM model was exercised for two torso lengths and nine body weights to obtain 18 body shapes. The 3D shape models can be downloaded in a standard mesh format (PLY). Each body shape is accompanied by predicted landmark locations and standard anthropometric variables.
- Keyword:
- Child anthropometry, Child restraint system, Statistical body shape model, and Anthropomorphic testing device (ATD)
- Discipline:
- Engineering
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- Creator:
- Elvati, Paolo, Luyet, Chloe, Wang, Yichun, Liu, Changjiang, VanEpps, J. Scott, Kotov, Nicholas A., and Violi, Angela
- Description:
- Amyloid nanofibers are abundant in microorganisms and are integral components of many biofilms, serving various purposes, from virulent to structural. Nonetheless, the precise characterization of bacterial amyloid nanofibers has been elusive, with incomplete and contradicting results. The present work focuses on the molecular details and characteristics of PSMa1-derived functional amyloids present in Staphylococcus aureus biofilms, using a combination of computational and experimental techniques, to develop a model that can aid the design of compounds to control amyloid formation. Results from molecular dynamics simulations, guided and supported by spectroscopy and microscopy, show that PSMa1 amyloid nanofibers present a helical structure formed by two protofilaments, have an average diameter of about 12 nm, and adopt a left-handed helicity with a periodicity of approximately 72 nm. The chirality of the self-assembled nanofibers, an intrinsic geometric property of its constituent peptides, is central to determining the fibers' lateral growth.
- Keyword:
- molecular self-assembly, computational nanotechnology, nanobiotechnology, and structural properties
- Citation to related publication:
- Paolo Elvati, Chloe Luyet, Yichun Wang, Changjiang Liu, J. Scott VanEpps, Nicholas A. Kotov, and Angela Violi ACS Applied Nano Materials 2023 6 (8), 6594-6604 DOI: 10.1021/acsanm.3c00174
- Discipline:
- Engineering and Science
-
- Creator:
- Agrawal, Mayank and Glotzer, Sharon C
- Description:
- Micron-scale robots require systems that can morph into arbitrary target configurations controlled by external agents such as heat, light, electricity, and chemical environment. Achieving this behavior using conventional approaches is challenging because the available materials at these scales are not programmable like their macroscopic counterparts. To overcome this challenge, we propose a design strategy to make a robotic machine that is both programmable and compatible with colloidal-scale physics. Our strategy uses motors in the form of active colloidal particles that constantly propel forward. We sequence these motors end-to-end in a closed chain forming a two-dimensional loop that folds under its mechanical constraints. We encode the target loop shape and its motion by regulating six design parameters, each scale-invariant and achievable at the colloidal scale. The research dataset includes simulation, visualization, and analysis scripts and results generated for the 2D chain loops of self-propelling particles. File Description:, -- arrows_folding - Contains the data for the folded chain loop shapes resembling an arrowhead., -- bending_vs_variation - Contains the data to study the stability of a particular shape in simulations as one of the segments of the shape bends and/or the distribution of propulsion on it varies., -- curved_triangle - Contains the data to study motion and bending of a triangle shape made using chain loop., -- example_shapes - Contains data for various examples of shapes that can be generated by designing the chain loops., -- nskT_vs_fakT - Contains the data for a specific shape to study the effect of scaling up the number of particles (governed by ns) and the propulsion (governed by fa) in its chain., -- stability - Contains the data and theoretical model (stability.py) to study the stability of the six different shapes., -- tuning_design_forM - Contains the data for sequential tuning the design parameters to fold the shape "M" as described in the corresponding publication., and -- two_neighboring_cds_segments_ - Contains the data to study a system of two neighboring chain segments with respect to different parameters discussed in the publication.
- Keyword:
- active particles, colloidal robotics, design, kilobots, and morphological control
- Citation to related publication:
- Agrawal, M, Glotzer SC. (2020). Scale-free, programmable design of morphable chain loops of kilobots and colloidal motors. PNAS. www.pnas.org/cgi/doi/10.1073/pnas.1922635117
- Discipline:
- Engineering
-
- Creator:
- Sosa Alfaro, Victor, Palomino, Hannah, Liu, Sophia, Lemuh Njimoh, Cybele, and Lehnert, Nicolai
- Description:
- Pharmaceutical synthesis has been a driving force behind advancements in the field of biocatalysis. In this paper, we report the further optimization of the heme protein YfeX for regio- and stereoselective carbene transfer reactions using mutagenesis to explore the role of important amino acids in the active site for catalysis. In this way, we identified YfeX variants that are efficient and selective carbene transferases towards primary and secondary amines, olefins, and indoles. Molecular Dynamic simulations reveal that mutations within the secondary coordination sphere induce distinct alterations in the conformation and electrostatic properties within the active site. These changes, in turn, affect substrate positioning both within the active site and at its entrance, which explains the distinct and sometimes surprising variations in selectivity observed experimentally between select YfeX variants. Our results show that the I230A single variant identified here is one of the most active N-H insertion catalysts known, producing >90% yields in only 1 hour (typical reaction times in the literature are 8 – 24 hours). On the other hand, the R232A variant catalyzes the C-H insertion of unprotected indole in 21% yield. The capacity to selectively act on unprotected indole offers a cost-effective, environmentally-friendly approach for late-stage functionalization of indoles and similar precursors in pharmaceuticals. In addition, YfeX is an efficient and fast biocatalyst that shows no structural degradation or heme loss during turnover, underscoring YfeX’s robustness as a viable biocatalyst for both industrial and academic applications.
- Keyword:
- Biocatalysis, Heme proteins, Carbene transfer reactions, Peroxidases , N-H insertion, Cyclopropanation, and Molecular dynamics
- Citation to related publication:
- Sosa Alfaro, Victor; Palomino, Hannah; Liu, Sophia; Lemuh Njimoh, Cybele; Lehnert, Nicolai, "Combined Experimental and Molecular Dynamics Approach Towards a Rational Design of the YfeX Biocatalyst for Enhanced Carbene Transferase Reactivity", Catalysis Science & Technology 2024, 14, DOI: 10.1039/D3CY01489D
- Discipline:
- Science
-
- Creator:
- Rivera-Rivera, Luis Y., Moore, Timothy C., and Glotzer, Sharon C.
- Description:
- The dataset is organized as follows: the data for each of the three target structures is contained within a directory with the structure name (e.g., kagome, pyrocholore and snub-square). Within each structure directory, data obtained from alchemical and self-assembly simulations are separated into alchem and self-assembly directories respectively. An additional suboptimal-self-assembly directory is only present for the snub-square structure and contains the data for the pattern registration analysis discussed in the SI. For a detailed description of each file contained within each directory, please refer to the README file.
- Keyword:
- inverse design, self-assembly, triblock Janus particles, crystallization slot, and digital alchemy
- Citation to related publication:
- Rivera-Rivera, LY, Moore, TC & SC Glotzer. Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy. Soft Matter, 2023, 19, 2726-2736 doi: 10.1039/d2sm01593e
- Discipline:
- Engineering
-
- Creator:
- Moser, Carol, Schoenebeck, Sarita , and Resnick, Paul
- Description:
- These data, survey instruments (including informed consent) and analysis scripts come from Carol Moser's dissertation titled, Impulse Buying: Designing for Self-Control with E-commerce.
- Keyword:
- Impulse Buying, Self-control, and Experimental Design
- Discipline:
- Social Sciences
-
- Creator:
- Dillahunt, Tawanna R., Lam, Jason, Lu, Alex, and Wheeler, Earnest
- Description:
- Today’s Information and Communication Technologies (ICTs) support job searches, resume creation and the ability to highlight employment skills on social media. However, these technological tools are often tailored to high-income, highly educated users, and white-collar professionals. It is unclear what interventions address the needs of job seekers who have limited resources, education, or who may be underserved in other ways. We gathered insights from past literature and generated ten tangible design concepts to address the needs of underserved job seekers. We then conducted a needs validation and speed dating study to understand which concepts were most viable among our population. We found that the three most preferred concepts immediately addressed job seekers’ most practical needs. and Per reviewer feedback, we aim to improve the utility of this publication to other scholars by including our research materials here. This dataset includes the interview script, storyboards that were used in the needs validation study, the demographics survey/questionnaire, and the consent form.
- Keyword:
- Design, Underserved job seekers, Storyboards, Speed dating, Employment, and Needs Validation
- Citation to related publication:
- Tawanna R. Dillahunt, Jason Lam, Alex Lu, and Earnest Wheeler. 2018. Designing Future Employment Applications for Underserved Job Seekers: A Speed Dating Study. In Proceedings of the 2018 Designing Interactive Systems Conference (DIS '18). ACM, New York, NY, USA, 33-44. DOI: https://doi.org/10.1145/3196709.3196770 and http://www.tawannadillahunt.com/wp-content/uploads/2018/05/disfp453-dillahuntA.pdf
- Discipline:
- Other
-
- Creator:
- James, David A.
- Description:
- An Excel spreadsheet listing the information recorded on each of 18,686 costume designs can be viewed, downloaded, and explored. All the usual Excel sorting possibilities are available, and in addition a useful filter has been installed. For example, to find the number of designs that are Frieze Type #1, go to the top of the frieze type 2 column (column AS), click on the drop-down arrow and unselect every option box except True (i.e. True should be turned on, all other choices turned off). Then in the lower left corner, one reads “1111 of 18686 records found”. Much more sophisticated exploration can be carried out by downloading the rich and flexible Access Database. The terms used for this database were described in detail in three sections of Deep Blue paper associated with this project. The database can be downloaded and explored. HOW TO USE THE ACCESS DATABASE 1. Click on the Create Cohort and View Math Trait Data button, and select your cohort by clicking on the features of interest (for example: Apron and Blouse). Note: Depending on how you exited on your previous visit to the database, there may be items to clear up before creating the cohorts. a) (Usually unnecessary) Click on the small box near the top left corner to allow connection to Access. b) (Usually unnecessary) If an undesired window blocks part of the screen, click near the top of this window to minimize it. c) Make certain under Further Filtering that all four Exclude boxes are checked to get rid of stripes and circles, and circular buttons, and the D1 that is trivially associated with shoes. 2. Click on Filter Records to Form the Cohort button. Note the # of designs, # of pieces, and # of costumes beside Recalculate. 3. Click on Calculate Average Math Trait Frequency of Cohort button, and select the symmetry types of interest (for example: D1 and D2) . 4. To view the Stage 1 table, click on Create Stage 1 table. To edit and print this table, click on Create Excel (after table has been created). The same process works for Stages 2, 3.and 4 tables. 5. To view the matrix listing the math category impact numbers, move over to a button on the right side and click on View Matrix of Math Category Impact Numbers. To edit and print this matrix, click on Create Excel, use the Excel table as usual.
- Keyword:
- Group Theory, European regional costume, Symmetry, Ethnomathematics, European folk costume, and Classification of designs
- Discipline:
- Other
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