scholarly journals Investigation of explosive spin crossover complexes for on-demand initiation sensitivity and energetic polymers for additive manufacturing

2020 ◽  
Author(s):  
Thuy-Ai D. Nguyen ◽  
David E. Chavez ◽  
Alexander H. Mueller ◽  
Bryce C. Tappan ◽  
Jacqueline M. Veauthier
Keyword(s):  
Additive Manufacturing ◽  
Spin Crossover ◽  
On Demand ◽  
Energetic Polymers ◽  
Spin Crossover Complexes

A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-Field N2 O4 Coordination Octahedron

2015 ◽  
Vol 22 (4) ◽  
pp. 1253-1257 ◽  
Author(s):  
Kazuyuki Takahashi ◽  
Kiko Kawamukai ◽  
Mitsunobu Okai ◽  
Tomoyuki Mochida ◽  
Takahiro Sakurai ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Weak Field ◽  
New Family ◽  
Spin Crossover Complexes

Relevance of supramolecular interactions, texture and lattice occupancy in the designer iron(II) spin crossover complexes

2009 ◽  
Vol 182 (6) ◽  
pp. 1365-1376 ◽  
Author(s):  
Anil D. Naik ◽  
Bernard Tinant ◽  
Kai Muffler ◽  
Juliusz A. Wolny ◽  
Volker Schünemann ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Supramolecular Interactions ◽  
Spin Crossover Complexes

Asymmetric Design of Spin-Crossover Complexes to Increase the Volatility for Surface Deposition

2021 ◽  
Author(s):  
Miguel Gakiya-Teruya ◽  
Xuanyuan Jiang ◽  
Duy Le ◽  
Ökten Üngör ◽  
Abdullah J. Durrani ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Surface Deposition ◽  
Spin Crossover Complexes

Modeling and analysis of the on-demand spare parts supply using additive manufacturing

2019 ◽  
Vol 25 (3) ◽  
pp. 473-487 ◽  
Author(s):  
Yuan Zhang ◽  
Stefan Jedeck ◽  
Li Yang ◽  
Lihui Bai
Keyword(s):  
Supply Chain ◽  
Additive Manufacturing ◽  
Spare Parts ◽  
Production Optimization ◽  
Arrival Process ◽  
Powder Bed Fusion ◽  
Content Type ◽  
Modeling And Analysis ◽  
Powder Bed ◽  
On Demand

PurposeDespite the widespread expectation that additive manufacturing (AM) will become a disruptive technology to transform the spare parts supply chain, very limited research has been devoted to the quantitative modeling and analysis on how AM could fulfill the on-demand spare parts supply. On the other hand, the choice of using AM as a spare parts supply strategy over traditional inventory is a rising decision faced by manufacturers and requires quantitative analysis for their AM-or-stock decisions. The purpose of this paper is to develop a quantitative performance model for a generic powder bed fusion AM system in a spare parts supply chain, thus providing insights into this less-explored area in the literature.Design/methodology/approachIn this study, analysis based on a discrete event simulation was carried out for the use of AM in replacement of traditional warehouse inventory for an on-demand spare parts supply system. Generic powder bed fusion AM system was used in the model, and the same modeling approach could be applied to other types of AM processes. Using this model, the impact of both spare parts demand characteristics (e.g. part size attributes, demand rates) and the AM operations characteristics (e.g. machine size and postpone strategy) on the performance of using AM to supply spare parts was studied.FindingsThe simulation results show that in many cases the AM operation is not as cost competitive compared to the traditional warehouse-based spare parts supply operation, and that the spare parts size characteristics could significantly affect the overall performance of the AM operations. For some scenarios of the arrival process of spare parts demand, the use of the batched AM production could potentially result in significant delay in parts delivery, which necessitates further investigations of production optimization strategies.Originality/valueThe findings demonstrate that the proposed simulation tool can not only provide insights on the performance characteristics of using AM in the spare parts supply chain, especially in comparison to the traditional warehousing system, but also can be used toward decision making for both the AM manufacturers and the spare parts service providers.

Targeted structural modification of spin crossover complexes: pyridine vs pyrazine

2017 ◽  
Vol 30 (4) ◽  
pp. 296-304 ◽  
Author(s):  
Humphrey L. C. Feltham ◽  
Matthew G. Cowan ◽  
Jonathan A. Kitchen ◽  
Guy N. L. Jameson ◽  
Sally Brooker
Keyword(s):  
Structural Modification ◽  
Spin Crossover ◽  
Spin Crossover Complexes

scholarly journals CASPT2 molecular geometries of Fe(II) spin-crossover complexes

2021 ◽  
Author(s):  
Brian A. Finney ◽  
Sabyasachi Roy Chowdhury ◽  
Clara Kirkvold ◽  
Bess Vlaisavljevich
Keyword(s):  
Spin Crossover ◽  
Spin Crossover Complexes ◽  
Analytical Gradients

Using fully internally contracted (FIC)-CASPT2 analytical gradients, geometry optimizations of spin-crossover complexes are reported. This approach is tested on a series of Fe(II) complexes with different sizes, ranging from 13...

Preparation of dihydroquinazoline carbohydrazone Fe(ii) complexes for spin crossover

2016 ◽  
Vol 40 (5) ◽  
pp. 4534-4542 ◽  
Author(s):  
Fu-Xing Shen ◽  
Wei Huang ◽  
Takashi Yamamoto ◽  
Yasuaki Einaga ◽  
Dayu Wu
Keyword(s):  
Spin Crossover ◽  
Spin Crossover Complexes

Mononuclear spin-crossover complexes of dihydroquinazoline derivatives were synthesized to enable the spin crossover phenomenon via the variation of the solvent, anion and substituent.

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