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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
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- 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:
- Geng, Yina, Van Anders, Greg, and Glotzer, Sharon C.
- Description:
- The data are the 13 target structures used in developing our model for predicting colloidal crystal structures from the geometries of particular shapes. The target structures are: simple cubic (SC), body-centered cubic (BCC), face-centered cubic (FCC), simple chiral cubic (SCC), hexagonal (HEX-1-0.6), diamond (D), graphite (G), honeycomb (H), body-centered tetragonal (BCT-1-1-2.4), high-pressure Lithium (Li), Manganese (beta-Mn), Uranium (beta-U), Tungsten (beta-W). At least nine simulations were run on each of the target structures. All of the data are formatted as .pos files.
- Keyword:
- Inverse Design and Machine Learning
- Citation to related publication:
- " Yina Geng, Greg van Anders, Sharon C. Glotzer, ""Predicting colloidal crystals from shapes via inverse design and machine learning [pre-print]"" https://arxiv.org/pdf/1801.06219.pdf"
- Discipline:
- Science
-
- 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)
- Citation to related publication:
- http://childshape.org/toddler/manikins/ and Jones, M.L.H., Klinich, K.D., Ebert, S.M., Malik, L., Manary, M.A., and Reed, M.P. (2015). A Pilot Study of Toddler Anthropometry and Posture in Child Restraint Systems. Short Communications from AAAM's 59th Annual Scientific Conference, Traffic Injury Prevention, 16:sup2, S240-S243, DOI: 10.1080/15389588.2015.1073071 https://doi.org/10.1080/15389588.2015.1073071
- Discipline:
- Engineering
-
- 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:
- Carducci, Vincent and Mascorella, Anna
- Description:
- What does/can/should an egalitarian metropolis look like? And how does a focus on Detroit allow us to ask and answer these conceptual—and practical—questions in ways that draw on a variety of disciplines including architecture, history, urban planning, and the urban humanities?, This course offers an interdisciplinary perspective on urban studies, urban design, and the ways that concerns around social justice and equity can influence how we think about cities in the past, present, and future. Drawing on a range of faculty expertise in the College of Literature, Science, and the Arts and Taubman College of Architecture and Urban Planning, this team-taught course also incorporates the voices of practitioners and community members involved in current attempts to revitalize Detroit and “Detroit-like” cities in the United States and elsewhere. By “Detroit-like cities” we mean urban areas that have experienced negative population growth, deindustrialization, economic disinvestment, racial stratification, environmental injustices, and concomitant crises in housing, health care, policing, criminalization, and education. At the same time, Detroit and Detroit-like cities offer opportunities to conjoin critical humanistic inquiry, urban design, and policy solutions for building more equitable and sustainable cities., and This course is co-designed and co-taught as part of the Egalitarian Metropolis Project, which is a partnership between the Taubman College of Architecture and Urban Planning and the College of Literature, Science, and the Arts. It combines traditional course materials with a team-based orientation to teaching and learning. More information about the EM Classroom can be found at https://sites.lsa.umich.edu/egalitarianmetropolis/em-classroom/.
- Discipline:
- Social Sciences and Humanities
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- Creator:
- Wu, Wenbing, Kadar, Alain, Lee, Sang Hyun, Jung, Hong Ju, Park, Bum Chul, Raymond, Jeffery, Tsotsis, Thomas, Cesnik, Carlos, Glotzer, Sharon, Goss, Valerie, and Kotov, Nicholas
- Description:
- The goal of this project is to relate properties of nanowire networks to their structure. The structure of these networks was determined from electron and atomic force microscopy, which were used as the basis for property predictions. Properties include sheet resistance, conductive anisotropy, absorption spectra, and current capacity.
- Keyword:
- structural complexity, nanowires, graph theory (GT), complex particle systems, complex composites, correlated disorder
- Citation to related publication:
- Preprint: https://arxiv.org/pdf/2310.15369
- Discipline:
- Engineering
-
- 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:
- 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