transition barrier
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2021 ◽  
Author(s):  
Yaqing Wang ◽  
Ratan Othayoth ◽  
Chen Li

To traverse complex natural terrain, animals often transition between locomotor modes. It is well known that locomotor transitions can be induced by switching in neural control circuits or be driven by a need to minimize metabolic energetic cost. Recent work discovered that locomotor transitions in complex 3-D terrain cluttered with large obstacles can also emerge from physical interaction with the environment controlled by the nervous system. To traverse cluttered, stiff grass-like beams, the discoid cockroach often transitions from using a strenuous pitch mode to push across to using a less strenuous roll mode to maneuver through the gaps, during which a potential energy barrier must be overcome. Although previous robotic physical modeling demonstrated that kinetic energy fluctuation from body oscillation generated by leg propulsion can help overcome the barrier and facilitate this transition, the animal was observed to transition even when the barrier still exceeds kinetic energy fluctuation. Here, we further studied whether and how the cockroach makes active adjustments to facilitate this locomotor transition to traverse cluttered beams. We observed that the animal flexed its head and abdomen, reduced hind leg sprawl, and used both hind legs differentially during the pitch-to-roll transition, which were absent when running on a flat ground. Using a refined potential energy landscape with additional degrees of freedom modeling these adjustments, we found that head flexion did not substantially reduce the transition barrier, whereas the leg sprawl reduction did so dramatically. We discussed likely functions of the observed adjustments and suggested future directions.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Pilgyu Byeon ◽  
Youngjae Hong ◽  
Hyung Bin Bae ◽  
Jaeho Shin ◽  
Jang Wook Choi ◽  
...  

AbstractAn initial crystalline phase can transform into another phases as cations are electrochemically inserted into its lattice. Precise identification of phase evolution at an atomic level during transformation is thus the very first step to comprehensively understand the cation insertion behavior and subsequently achieve much higher storage capacity in rechargeable cells, although it is sometimes challenging. By intensively using atomic-column-resolved scanning transmission electron microscopy, we directly visualize the simultaneous intercalation of both H2O and Zn during discharge of Zn ions into a V2O5 cathode with an aqueous electrolyte. In particular, when further Zn insertion proceeds, multiple intermediate phases, which are not identified by a macroscopic powder diffraction method, are clearly imaged at an atomic scale, showing structurally topotactic correlation between the phases. The findings in this work suggest that smooth multiphase evolution with a low transition barrier is significantly related to the high capacity of oxide cathodes for aqueous rechargeable cells, where the crystal structure of cathode materials after discharge differs from the initial crystalline state in general.


Author(s):  
Marwah Madkhali ◽  
Conor Douglas Rankine ◽  
Thomas James Penfold

Many chemical and biological reactions, including ligand exchange processes, require thermal energy for the reactants to overcome a transition barrier and reach the product state. Temperature-jump (T-jump) spectroscopy uses a...


2021 ◽  
Vol 23 (1) ◽  
pp. 204-210
Author(s):  
Plaban J. Sarma ◽  
Dikshita Dowerah ◽  
Nand K. Gour ◽  
Andrew J. Logsdail ◽  
C. Richard A. Catlow ◽  
...  

Schematic representation of Ti-doping on a pure Sn2O4 cluster for the hydrogenation of CO2 to HCOOH via a hydride pathway.


2020 ◽  
Vol 8 ◽  
Author(s):  
Alexander Mehlich ◽  
Jie Fang ◽  
Benjamin Pelz ◽  
Hongbin Li ◽  
Johannes Stigler

De-novo designed proteins have received wide interest as potential platforms for nano-engineering and biomedicine. While much work is being done in the design of thermodynamically stable proteins, the folding process of artificially designed proteins is not well-studied. Here we used single-molecule force spectroscopy by optical tweezers to study the folding of ROSS, a de-novo designed 2x2 Rossmann fold. We measured a barrier crossing time in the millisecond range, much slower than what has been reported for other systems. While long transition times can be explained by barrier roughness or slow diffusion, we show that isotropic roughness cannot explain the measured transition path time distribution. Instead, this study shows that the slow barrier crossing of ROSS is caused by the population of three short-lived high-energy intermediates. In addition, we identify incomplete and off-pathway folding events with different barrier crossing dynamics. Our results hint at the presence of a complex transition barrier that may be a common feature of many artificially designed proteins.


Materials ◽  
2020 ◽  
Vol 13 (2) ◽  
pp. 425 ◽  
Author(s):  
Jasper Biemolt ◽  
Peter Jungbacker ◽  
Tess van Teijlingen ◽  
Ning Yan ◽  
Gadi Rothenberg

We discuss the latest developments in alternative battery systems based on sodium, magnesium, zinc and aluminum. In each case, we categorize the individual metals by the overarching cathode material type, focusing on the energy storage mechanism. Specifically, sodium-ion batteries are the closest in technology and chemistry to today’s lithium-ion batteries. This lowers the technology transition barrier in the short term, but their low specific capacity creates a long-term problem. The lower reactivity of magnesium makes pure Mg metal anodes much safer than alkali ones. However, these are still reactive enough to be deactivated over time. Alloying magnesium with different metals can solve this problem. Combining this with different cathodes gives good specific capacities, but with a lower voltage (<1.3 V, compared with 3.8 V for Li-ion batteries). Zinc has the lowest theoretical specific capacity, but zinc metal anodes are so stable that they can be used without alterations. This results in comparable capacities to the other materials and can be immediately used in systems where weight is not a problem. Theoretically, aluminum is the most promising alternative, with its high specific capacity thanks to its three-electron redox reaction. However, the trade-off between stability and specific capacity is a problem. After analyzing each option separately, we compare them all via a political, economic, socio-cultural and technological (PEST) analysis. The review concludes with recommendations for future applications in the mobile and stationary power sectors.


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