[Mnii2(bpym)(H2O)8]4+ and [Miv(CN)8]4– (M = Mo and W) as building blocks in designing bpym- and cyanide-bridged bimetallic three-dimensional networks (bpym = 2,2′-bipyrimidine)Electronic supplementary information (ESI) available: χMT vs. T for 2. See http://www.rsc.org/suppdata/nj/b2/b206124b/

2002 ◽  
Vol 27 (1) ◽  
pp. 128-133 ◽  
Author(s):  
Juan Manuel Herrera ◽  
Donatella Armentano ◽  
Giovanni de Munno ◽  
Francesc Lloret ◽  
Miguel Julve ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Building Blocks ◽  
Supplementary Information ◽  
Electronic Supplementary Information

scholarly journals Lath Martensite Microstructure Modeling: A High-Resolution Crystal Plasticity Simulation Study

Materials ◽  
2021 ◽  
Vol 14 (3) ◽  
pp. 691
Author(s):  
Francisco-José Gallardo-Basile ◽  
Yannick Naunheim ◽  
Franz Roters ◽  
Martin Diehl
Keyword(s):  
High Resolution ◽  
Mechanical Behavior ◽  
Crystal Plasticity ◽  
Lath Martensite ◽  
Three Dimensional ◽  
Building Blocks ◽  
Quantitative Agreement ◽  
Carbon Steels ◽  
Plastic Behavior ◽  
Austenitic Phase

Lath martensite is a complex hierarchical compound structure that forms during rapid cooling of carbon steels from the austenitic phase. At the smallest, i.e., ‘single crystal’ scale, individual, elongated domains, form the elemental microstructural building blocks: the name-giving laths. Several laths of nearly identical crystallographic orientation are grouped together to blocks, in which–depending on the exact material characteristics–clearly distinguishable subblocks might be observed. Several blocks with the same habit plane together form a packet of which typically three to four together finally make up the former parent austenitic grain. Here, a fully parametrized approach is presented which converts an austenitic polycrystal representation into martensitic microstructures incorporating all these details. Two-dimensional (2D) and three-dimensional (3D) Representative Volume Elements (RVEs) are generated based on prior austenite microstructure reconstructed from a 2D experimental martensitic microstructure. The RVEs are used for high-resolution crystal plasticity simulations with a fast spectral method-based solver and a phenomenological constitutive description. The comparison of the results obtained from the 2D experimental microstructure and the 2D RVEs reveals a high quantitative agreement. The stress and strain distributions and their characteristics change significantly if 3D microstructures are used. Further simulations are conducted to systematically investigate the influence of microstructural parameters, such as lath aspect ratio, lath volume, subblock thickness, orientation scatter, and prior austenitic grain shape on the global and local mechanical behavior. These microstructural features happen to change the local mechanical behavior, whereas the average stress–strain response is not significantly altered. Correlations between the microstructure and the plastic behavior are established.

scholarly journals MorphOT: transport-based interpolation between EM maps with UCSF ChimeraX

2020 ◽  
Author(s):  
Arthur Ecoffet ◽  
Frédéric Poitevin ◽  
Khanh Dao Duc
Keyword(s):  
Optimal Transport ◽  
Three Dimensional ◽  
Linear Interpolation ◽  
The Other ◽  
Supplementary Information ◽  
Conformational Heterogeneity ◽  
Supplementary Data ◽  
Image Dataset ◽  
Standard Linear ◽  
Unique Potential

Abstract Motivation Cryogenic electron microscopy (cryo-EM) offers the unique potential to capture conformational heterogeneity, by solving multiple three-dimensional classes that co-exist within a single cryo-EM image dataset. To investigate the extent and implications of such heterogeneity, we propose to use an optimal-transport-based metric to interpolate barycenters between EM maps and produce morphing trajectories. Results While standard linear interpolation mostly fails to produce realistic transitions, our method yields continuous trajectories that displace densities to morph one map into the other, instead of blending them. Availability and implementation Our method is implemented as a plug-in for ChimeraX called MorphOT, which allows the use of both CPU or GPU resources. The code is publicly available on GitHub (https://github.com/kdd-ubc/MorphOT.git), with documentation containing tutorial and datasets. Supplementary information Supplementary data are available at Bioinformatics online.

Design and Optimization of a Shape Memory Alloy-Based Self-Folding Sheet

2013 ◽  
Vol 135 (11) ◽  
Author(s):  
Edwin Peraza-Hernandez ◽  
Darren Hartl ◽  
Edgar Galvan ◽  
Richard Malak
Keyword(s):  
Shape Memory Alloy ◽  
Shape Memory ◽  
Three Dimensional ◽  
Building Blocks ◽  
Passive Layer ◽  
Von Mises Stress ◽  
Maximum Temperature ◽  
Radius Of Curvature ◽  
Folding Angle ◽  
The Impact

Origami engineering—the practice of creating useful three-dimensional structures through folding and fold-like operations on two-dimensional building-blocks—has the potential to impact several areas of design and manufacturing. In this article, we study a new concept for a self-folding system. It consists of an active, self-morphing laminate that includes two meshes of thermally-actuated shape memory alloy (SMA) wire separated by a compliant passive layer. The goal of this article is to analyze the folding behavior and examine key engineering tradeoffs associated with the proposed system. We consider the impact of several design variables including mesh wire thickness, mesh wire spacing, thickness of the insulating elastomer layer, and heating power. Response parameters of interest include effective folding angle, maximum von Mises stress in the SMA, maximum temperature in the SMA, maximum temperature in the elastomer, and radius of curvature at the fold line. We identify an optimized physical realization for maximizing folding capability under mechanical and thermal failure constraints. Furthermore, we conclude that the proposed self-folding system is capable of achieving folds of significant magnitude (as measured by the effective folding angle) as required to create useful 3D structures.

A new three-dimensional anionic cadmium(II) dicyanamide network

2014 ◽  
Vol 70 (11) ◽  
pp. 1054-1056 ◽  
Author(s):  
Qiang Li ◽  
Hui-Ting Wang
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Unit Cell Volume ◽  
Three Dimensional ◽  
Building Blocks ◽  
The Other ◽  
Dimensional Structure ◽  
Cadmium Nitrate ◽  
Nitrate Tetrahydrate ◽  
Anionic Framework

A new cadmium dicyanamide complex, poly[tetramethylphosphonium [μ-chlorido-di-μ-dicyanamido-κ4N1:N5-cadmium(II)]], [(CH3)4P][Cd(NCNCN)2Cl], was synthesized by the reaction of tetramethylphosphonium chloride, cadmium nitrate tetrahydrate and sodium dicyanamide in aqueous solution. In the crystal structure, each CdIIatom is octahedrally coordinated by four terminal N atoms from four anionic dicyanamide (dca) ligands and by two chloride ligands. The dicyanamide ligands play two different roles in the building up of the structure; one role results in the formation of [Cd(dca)Cl]2building blocks, while the other links the building blocks into a three-dimensional structure. The anionic framework exhibits a solvent-accessible void of 673.8 Å3, amounting to 47.44% of the total unit-cell volume. The cavities in the network are occupied by pairs of tetramethylphosphonium cations.

scholarly journals Assembly of multicomponent structures from hundreds of micron-scale building blocks using optical tweezers

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Jeffrey E. Melzer ◽  
Euan McLeod
Keyword(s):  
Optical Tweezers ◽  
Three Dimensional ◽  
Building Blocks ◽  
Optical Tweezer ◽  
Device Fabrication ◽  
Positional Accuracy ◽  
Component Structure ◽  
Material Development ◽  
Critical Process Parameters ◽  
Optical Positioning

AbstractThe fabrication of three-dimensional (3D) microscale structures is critical for many applications, including strong and lightweight material development, medical device fabrication, microrobotics, and photonic applications. While 3D microfabrication has seen progress over the past decades, complex multicomponent integration with small or hierarchical feature sizes is still a challenge. In this study, an optical positioning and linking (OPAL) platform based on optical tweezers is used to precisely fabricate 3D microstructures from two types of micron-scale building blocks linked by biochemical interactions. A computer-controlled interface with rapid on-the-fly automated recalibration routines maintains accuracy even after placing many building blocks. OPAL achieves a 60-nm positional accuracy by optimizing the molecular functionalization and laser power. A two-component structure consisting of 448 1-µm building blocks is assembled, representing the largest number of building blocks used to date in 3D optical tweezer microassembly. Although optical tweezers have previously been used for microfabrication, those results were generally restricted to single-material structures composed of a relatively small number of larger-sized building blocks, with little discussion of critical process parameters. It is anticipated that OPAL will enable the assembly, augmentation, and repair of microstructures composed of specialty micro/nanomaterial building blocks to be used in new photonic, microfluidic, and biomedical devices.

Construction of Three-Dimensional DNA Hydrogels from Linear Building Blocks

2014 ◽  
Vol 126 (32) ◽  
pp. 8468-8472 ◽  
Author(s):  
Tanja Nöll ◽  
Holger Schönherr ◽  
Daniel Wesner ◽  
Michael Schopferer ◽  
Thomas Paululat ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Building Blocks ◽  
Dna Hydrogels
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