This investigation summarized the application of nanofluids (NFs) in heat exchangers (HExs) with different geometries. The quest for heat devices with quick response for the industrial sector is still a major challeng...
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The simulation of chemical reactions and mechanical properties including failure from atoms to the micrometer scale remains a longstanding challenge in chemistry and materialsscience. Bottlenecks include computationa...
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A high-entropy metal disilicide,(Mo_(0.2)Nb_(0.2)Ta_(0.2)Ti_(0.2)W_(0.2))Si_(2),has been successfully synthesized.X-ray diffraction(XRD),energy dispersive X-ray spectroscopy(EDX),and electron backscatter diffraction(E...
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A high-entropy metal disilicide,(Mo_(0.2)Nb_(0.2)Ta_(0.2)Ti_(0.2)W_(0.2))Si_(2),has been successfully synthesized.X-ray diffraction(XRD),energy dispersive X-ray spectroscopy(EDX),and electron backscatter diffraction(EBSD)collectively show the formation of a single high-entropy silicide *** high-entropy(Mo_(0.2)Nb_(0.2)Ta_(0.2)Ti_(0.2)W_(0.2))Si_(2) possesses a hexagonal C40 crystal structure with ABC stacking sequence and a space group of *** discovery expands the known families of high-entropy materials from metals,oxides,borides,carbides,and nitrides to a silicide,for the first time to our knowledge,as well as demonstrating that a new,non-cubic,crystal structure(with lower symmetry)can be made into highentropy ***(Mo_(0.2)Nb_(0.2)Ta_(0.2)Ti_(0.2)W_(0.2))Si_(2) exhibits high nanohardness of 16.7±1.9 GPa and Vickers hardness of 11.6±0.5 ***,it has a low thermal conductivity of 6.9±1.1Wm^(-1) K^(-1),which is approximately one order of magnitude lower than that of the widely-used tetragonal MoSi_(2) and ~1/3 of those reported values for the hexagonal NbSi_(2) and TaSi_(2) with the same crystal structure.
Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by x-ray crystallography. A fundamental question is whether a...
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Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by x-ray crystallography. A fundamental question is whether any observed differences are due to differing methodologies, or to differences in the behavior of proteins in solution versus in the crystalline state. Here, we compare the properties of the hydrophobic cores of high-resolution protein crystal structures and those in NMR structures, determined using increasing numbers and types of restraints. Prior studies have reported that many NMR structures have denser cores compared to those of high-resolution x-ray crystal structures. Our current work investigates this result in more detail, and finds that these NMR structures tend to violate basic features of protein stereochemistry, such as small non-bonded atomic overlaps and few Ramachandran and side chain dihedral angle outliers. We find that NMR structures solved with more restraints, and which do not significantly violate stereochemistry, have hydrophobic cores that have a similar size and packing fraction as their counterparts determined by x-ray crystallography at high-resolution. These results lead us to conclude that, at least regarding the core packing properties, high-quality structures determined by NMR and x-ray crystallography are the same, and the differences reported earlier are most likely a consequence of methodology, rather than fundamental differences between the protein in the two different environments. Significance: Dense packing of hydrophobic residues is key to protein structure and stability. Previously, it has been noted that structures solved by NMR spectroscopy have denser cores than x-ray crystal structures. Here, we calculate the core size and packing fraction of NMR structures with experimental restraints in the PDB. Their cores are typically smaller, but denser. However, NMR structures with accurate stereochemistry possess core pa
Experimental data on the compressive strength σmax versus strain rate Ε eng for metallic glasses undergoing uniaxial compression shows significantly different behavior for different alloys. For some metallic glasse...
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Soft, amorphous solids such as tissues, foams, and emulsions are composed of deformable particles. However, the effect of single-particle deformability on the collective behavior of soft solids is still poorly underst...
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Soft, amorphous solids such as tissues, foams, and emulsions are composed of deformable particles. However, the effect of single-particle deformability on the collective behavior of soft solids is still poorly understood. We perform numerical simulations of two-dimensional jammed packings of explicitly deformable particles to study the mechanical response of model soft solids. We find that jammed packings of deformable particles with excess shape degrees of freedom possess low-frequency quartic vibrational modes that stabilize the packings even though they possess fewer interparticle contacts than the nominal isostatic value. Adding intraparticle constraints can rigidify the particles, but these particles undergo a buckling transition and gain an effective shape degree of freedom when their preferred perimeter is above a threshold value. We find that the mechanical response of jammed packings of deformable particles with shape degrees of freedom differs significantly from that of jammed packings of rigid-shape particles, which emphasizes the importance of particle deformability in modeling soft solids.
The need for higher propulsive and thermal efficiency in high temperature equipment has induced the search for materials that can withstand such harsh operating conditions. Within this group, the Nb-Si alloy system of...
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