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3D concrete printing (3DCP) structural components for construction assemblies are known for reduced material use and enhanced efficiency and design freedom. This article investigates the limitations in the geometrical and toolpath design of 3DCP structural components and presents an automated and comprehensive approach to their toolpath design and optimization. It exploits hierarchical geometric data structures and graph algorithms to achieve the following features: (1) By analyzing the overhang of toolpaths, the method offers quantitative criteria for determining the buildability of the components and predicting failure, thus assisting design decisions. (2) It provides toolpath offsetting and filleting methods that can enhance the dimensional accuracy of the print concerning layer line textures and overfills. (3) For branching and porous geometries, the method creates as-continuous-as-possible toolpaths with minimal stop-starts based on their topologies, thus reducing seam defects. (4) It converts the toolpath into efficient visualization meshes representing layer line textures and toolpath meshes compatible with finite elements analysis. The proposed method is implemented as a plug-in software within the environment of Grasshopper® for Rhino® to facilitate designers and engineers working with 3DCP. The effectiveness and versatility of the tool are demonstrated through the toolpath design and printing of four sets of examples. The tool reduces the number of toolpaths by 90% for a typical 80 mm nozzle and takes 0.21 s per meter of toolpath to slice, analyze overhang, generate continuous printing toolpaths, and visualize the print. 

This paper aims to advance the field of additive manufacturing by producing multimaterial objects with intricate topological features and polylithic material distribution through an integrated approach. First, we develop a Single-Nozzle Multi-Filament (SNMF) system equipped with active mixing to blend multiple filaments and deposit a programmable mixture. The system can also deposit gradient transitions between different materials within a single print. Second, we establish a numerical model to represent the material transitional behavior and validated it with experiments. The model enables the precise control of the material transitional interface to ensure high material fidelity. Third, we propose three strategies for designing and modeling multimaterial objects catering to different application scenarios, including image sampling, 2D discrete patches, and 3D surface division. The system’s capabilities were validated through six case studies designed and fabricated through the above approaches for distinct application scenarios, demonstrating the successful materialization of complex designs with multiple functionalities. 

The reactivity of Bi_n⁻clusters (n= 2 to 30) with O₂is found to display even-odd alternations. The open-shell even-sized Bi_n⁻clusters are more reactive than the closed-shell odd-sized clusters, except Bi₁₈⁻, which exhibits no observable reactivity toward O₂. We have investigated the structure and bonding of Bi₁₈⁻to understand its remarkable resistance to oxidation. We find that the most stable structure of Bi₁₈⁻consists of two Bi₈cages linked by a Bi₂dimer, where each atom is bonded to three neighboring atoms. Chemical bonding analyses reveal that each Bi uses its three 6pelectrons to form three covalent bonds with its neighbors, resulting in a Bi₁₈⁻cluster without any dangling bonds. We find that the robust Bi₁₈framework along with the totally delocalized unpaired electron is responsible for the surprising inertness of Bi₁₈⁻toward O₂. The Bi₁₈framework is similar to that in Hittorf’s phosphorus, suggesting the possibility to create bismuth nanoclusters with interesting structures and properties. 

In this research, we propose a Multi-Filament Fused Deposit Modelling (MFFMD) printer and a respective generator that can be used to produce structural parts with locally tailored functional properties. 3D-printed structural components can highly benefit from multi-material printing with tuneable functional properties. Currently, multi-material printing is mainly achieved using multiple separate nozzles, leading to discontinuous flow in switching materials. This limitation results in material interface delamination, minimal control in the continuous transition of material properties, and longer production time.To address this, we first design and build an MFFMD printer with a single customized nozzle allowing seamless switching between multiple filaments. We then develop a method that generates a continuous toolpath of a given geometry and differentiates materials based on various stress conditions at particular regions. To illustrate, we fabricate a Pratt truss as an example of a tension-compression structure as a case study. In one go, the MFFMD printer deposits resistant filament, respectively, at tension- or compression-concentrated regions based on local stress conditions. Comparative load tests are conducted to validate the performance enhancement of multi-filament prints against single-filament prints. Our proposed method is a prototypical study conducted on a small scale. While it mainly uses thermal plastic filaments, it can be expanded to other construction materials and scales in the future. 

Joint photoelectron spectroscopy and first-principles theory investigations indicate that the Pb-doped PbB₂(BO)_n⁻clusters (n= 0−2) undergo a transformation from σ + π doubly aromatic triangle PbB₂⁻to PbB₄(BO)₂^−/0complexes with a B≡B triple bond. 

Two-dimensional infrared spectroscopy resolves ultrafast chemical dynamics in Fe(CO) 5 under vibrational strong coupling. 

Photoelectron spectroscopy combined with quantum chemistry has been a powerful approach to elucidate the structures and bonding of size-selected boron clusters (B n − ), revealing a prevalent planar world that laid the foundation for borophenes. Investigations of metal-doped boron clusters not only lead to novel structures but also provide important information about the metal-boron bonds that are critical to understanding the properties of boride materials. The current review focuses on recent advances in transition-metal-doped boron clusters, including the discoveries of metal-boron multiple bonds and metal-doped novel aromatic boron clusters. The study of the RhB − and RhB 2 O − clusters led to the discovery of the first quadruple bond between boron and a transition-metal atom, whereas a metal-boron triple bond was found in ReB 2 O − and IrB 2 O − . The ReB 4 − cluster was shown to be the first metallaborocycle with Möbius aromaticity, and the planar ReB 6 − cluster was found to exhibit aromaticity analogous to metallabenzenes. Expected final online publication date for the Annual Review of Physical Chemistry, Volume 73 is April 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates. 

The concept of metalla-aromaticity proposed by Thorn–Hoffmann ( Nouv. J. Chim . 1979, 3, 39) has been expanded to organometallic molecules of transition metals that have more than one independent electron-delocalized system. Lanthanides, with highly contracted 4f atomic orbitals, are rarely found in multiply aromatic systems. Here we report the discovery of a doubly aromatic triatomic lanthanide-boron molecule PrB 2 − based on a joint photoelectron spectroscopy and quantum chemical investigation. Global minimum structural searches reveal that PrB 2 − has a C 2v triangular structure with a paramagnetic triplet 3 B 2 electronic ground state, which can be viewed as featuring a trivalent Pr(III,f 2 ) and B 2 4− . Chemical bonding analyses show that this cyclo-PrB 2 − species is the smallest 4f-metalla-aromatic system exhibiting σ and π double aromaticity and multiple Pr–B bonding characters. It also sheds light on the formation of the rare B 2 4− tetraanion by the high-lying 5d orbitals of the 4f-elements, completing the isoelectronic B 2 4− , C 2 2− , N 2 , and O 2 2+ series.