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1.
Molecules ; 27(3)2022 Jan 18.
Artigo em Inglês | MEDLINE | ID: mdl-35163868

RESUMO

In this paper, the influence of tool shape on the surface quality of monocrystalline nickel nanofabrication is studied. The research mainly adopts the method of molecular dynamics simulation, through the statistics of the atomic coordinates of the machined surface, then calculates the influence of different tool rake angles on the surface roughness of monocrystalline nickel. It is concluded that the surface roughness distribution is 'W' when the rake angle of the diamond tool changes from -45° to +45°. When analyzing the relationship between the tool shape and the processing temperature, it is found that when the clearance angle of the tool reaches a certain range, the clearance angle is further increased, and the temperature of the workpiece does not change during machining. Therefore, a large number of simulations were carried out, and it was concluded that there is a critical clearance angle, and the critical clearance angle of the tool in the research conditions is 8-10°.

2.
Materials (Basel) ; 11(2)2018 Feb 04.
Artigo em Inglês | MEDLINE | ID: mdl-29401703

RESUMO

Friction and wear tests were performed on AISI 1045 steel specimens with different initial roughness parameters, machined by a creep-feed dry grinding process, to study the friction and wear behavior on a pin-on-disc tester in dry sliding conditions. Average surface roughness (Ra), root mean square (Rq), skewness (Rsk) and kurtosis (Rku) were involved in order to analyse the influence of the friction and wear behavior. The observations reveal that a surface with initial roughness parameters of higher Ra, Rq and Rku will lead to a longer initial-steady transition period in the sliding tests. The plastic deformation mainly concentrates in the depth of 20-50 µm under the worn surface and the critical plastic deformation is generated on the rough surface. For surfaces with large Ra, Rq, low Rsk and high Rku values, it is easy to lose the C element in, the reciprocating extrusion.

3.
Materials (Basel) ; 10(5)2017 Apr 27.
Artigo em Inglês | MEDLINE | ID: mdl-28772821

RESUMO

The effects of HfB2 and HfN additions on the microstructures and mechanical properties of TiB2-based ceramic tool materials were investigated. The results showed that the HfB2 additive not only can inhibit the TiB2 grain growth but can also change the morphology of some TiB2 grains from bigger polygons to smaller polygons or longer ovals that are advantageous for forming a relatively fine microstructure, and that the HfN additive had a tendency toward agglomeration. The improvement of flexural strength and Vickers hardness of the TiB2-HfB2 ceramics was due to the relatively fine microstructure; the decrease of fracture toughness was ascribed to the formation of a weaker grain boundary strength due to the brittle rim phase and the poor wettability between HfB2 and Ni. The decrease of the flexural strength and Vickers hardness of the TiB2-HfN ceramics was due to the increase of defects such as TiB2 coarse grains and HfN agglomeration; the enhancement of fracture toughness was mainly attributed to the decrease of the pore number and the increase of the rim phase and TiB2 coarse grains. The toughening mechanisms of TiB2-HfB2 ceramics mainly included crack bridging and transgranular fracture, while the toughening mechanisms of TiB2-HfN ceramics mainly included crack deflection, crack bridging, transgranular fracture, and the core-rim structure.

4.
J Am Chem Soc ; 137(18): 5879-82, 2015 May 13.
Artigo em Inglês | MEDLINE | ID: mdl-25909625

RESUMO

Unlike the precise structural control typical of closed assemblies, curbing the stacking of disc- and ring-shaped molecules is quite challenging. Here we report the discrete stacking of rigid aromatic oligoamide macrocycles 1. With increasing concentration, the aggregation of 1 quickly plateaus, forming a discrete oligomer, as suggested by 1D (1)H, 2D nuclear Overhauser effect, and diffusion-ordered NMR spectroscopy. Quantum-chemical calculations indicate that the tetramer of 1 is the most stable among oligomeric stacks. X-ray crystallography revealed a tetrameric stack containing identical molecules adopting two different conformations. With a defined length and an inner pore capable of accommodating distinctly different guests, the tetramers of 1 densely pack into 2D layers. Besides being a rare system of conformation-regulated supramolecular oligomerization, the discrete stacks of 1, along with their higher-order assemblies, may offer new nanotechnological applications.


Assuntos
Amidas/química , Compostos Macrocíclicos/química , Cristalografia por Raios X , Espectroscopia de Ressonância Magnética , Modelos Moleculares , Estrutura Molecular , Teoria Quântica
5.
Chem Commun (Camb) ; 48(16): 2228-30, 2012 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-22252438

RESUMO

Attaching peripheral amide groups to the backbone of cyclic aromatic oligoamides 1 leads to new macrocycles 2 that show drastically changed behavior including modest yields of formation and no tendency to aggregate while maintaining a rigid backbone and a defined, guest-binding internal cavity.


Assuntos
Amidas/química , Compostos Macrocíclicos/química , Espectroscopia de Ressonância Magnética , Modelos Moleculares
6.
Chem Commun (Camb) ; 46(39): 7361-3, 2010 Oct 21.
Artigo em Inglês | MEDLINE | ID: mdl-20830363

RESUMO

Molecules with a defined crescent shape have been generated from the folding or covalent locking of curved structural components connected together via multiple covalent tethers.

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