Numerical simulations of structural modifications at a<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Ni</mml:mi><mml:mtext>−</mml:mtext><mml:mi mathvariant="normal">Zr</mml:mi></mml:mrow></mml:math>sliding interface

Delogu, Francesco; Cocco, G.

doi:10.1103/physrevb.72.014124

Cited by 68 publications

(91 citation statements)

References 37 publications

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“…8, which provides an atomic displacement mechanism alternative to thermal diffusion. [47][48][49][50][51] The dynamics of atomic displacements is affected by both system geometry and shearing intensity. [52][53][54][55] In the case of smooth interfaces, the distance covered by displacing atoms exhibits a dependence on the square root of time similar to the one of thermal diffusion.…”

Section: Atomistic Processesmentioning

confidence: 99%

“…In this regard, it is worth noting that the average duration of collisions, of about 1 ms or less, 111 is considerably longer than the time interval underlying the local transformations induced by strain, which roughly occur in 1 to 10 ns. [45][46][47][48][49][50][51][52][53][54][55][56][57][58][59] It follows that a given collision can activate various local deformation processes. Also, any given local process activated by a given collision can reach completion before the successive collision takes place.…”

Section: Kineticsmentioning

confidence: 99%

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Hallmarks of mechanochemistry: from nanoparticles to technology

et al. 2013

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The aim of this review article on recent developments of mechanochemistry (nowadays established as a part of chemistry) is to provide a comprehensive overview of advances achieved in the field of atomistic processes, phase transformations, simple and multicomponent nanosystems and peculiarities of mechanochemical reactions. Industrial aspects with successful penetration into fields like materials engineering, heterogeneous catalysis and extractive metallurgy are also reviewed. The hallmarks of mechanochemistry include influencing reactivity of solids by the presence of solid-state defects, interphases and relaxation phenomena, enabling processes to take place under non-equilibrium conditions, creating a well-crystallized core of nanoparticles with disordered near-surface shell regions and performing simple dry time-convenient one-step syntheses. Underlying these hallmarks are technological consequences like preparing new nanomaterials with the desired properties or producing these materials in a reproducible way with high yield and under simple and easy operating conditions. The last but not least hallmark is enabling work under environmentally friendly and essentially waste-free conditions (822 references).

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Section: Atomistic Processesmentioning

confidence: 99%

Section: Kineticsmentioning

confidence: 99%

Hallmarks of mechanochemistry: from nanoparticles to technology

et al. 2013

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“…19,20 Despite the deeper insight provided by these mechanistic scenarios [9][10][11][12][13][14][15][16][17][18][19][20] respect to the ones based on thermal diffusion, [21][22][23][24][25][26] the intimate mechanisms governing the mechanochemical transformations are still a matter of debate. 6,7 This work attempts to clarify the role of localized mechanical stresses and of the associated excited states 6,7,[9][10][11][12][13][14][15][16][17][18][19][20] by focusing on the early stages of the collision between two semicrystals of different metals. To this end, the behavior of semicrystals with surfaces of different roughness was studied under different impact conditions by means of molecular dynamics simulations.…”

Section: Introductionmentioning

confidence: 99%

“…[6][7][8] The localization of considerable amounts of energy in relatively small volumes of solid phase determines the accumulation of strain and the nucleation of defects. [9][10][11][12][13][14][15][16][17][18][19][20] Fast local processes of mass transport and mixing occur assisted by complex aggregates of atoms with defective coordination. 17,19,20 These relax and to a large extent disappear as a consequence of thermal equilibration processes when the shear stresses are removed.…”

Section: Introductionmentioning

confidence: 99%

“…[9][10][11][12][13][14][15][16][17][18][19][20] Fast local processes of mass transport and mixing occur assisted by complex aggregates of atoms with defective coordination. 17,19,20 These relax and to a large extent disappear as a consequence of thermal equilibration processes when the shear stresses are removed. 19,20 Despite the deeper insight provided by these mechanistic scenarios [9][10][11][12][13][14][15][16][17][18][19][20] respect to the ones based on thermal diffusion, [21][22][23][24][25][26] the intimate mechanisms governing the mechanochemical transformations are still a matter of debate.…”

Section: Introductionmentioning

confidence: 99%

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Numerical simulations of atomic-scale disordering processes at impact between two rough crystalline surfaces

Delogu

Cocco

2006

Phys. Rev. B

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Numerical calculations have been used to throw light on the mechanical deformation and the atomic mixing processes taking place when two different metallic systems collide at low temperature. To this end, two semicrystals terminating with a free surface were pushed each against the other at a given relative velocity. Surfaces of different roughness were considered under different impact conditions. Simple mechanical loads on plane surfaces did not induce any significant mixing of atomic species at the interface, observed instead in collisions involving either rough surfaces or plane surfaces undergoing a relative sliding. In the case of rough surfaces, the local contact between the semicrystals is initially sustained by surface asperities. The atoms there located experience thus sudden mechanical loads and an unusual localization of kinetic energy, which enhance their mobility and favor the mixing process. A diffuse interfacial region with a disordered structure correspondingly appears. Its structural features were not significantly modified by the thermal relaxation processes occurring after the compressive load removal.

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The Mechanochemical Route to Nanoscale

Delogu

Ricci

2015

Handbook of Mechanical Nanostructuring

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Numerical simulations of structural modifications at aNi−Zrsliding interface

Cited by 68 publications

References 37 publications

Hallmarks of mechanochemistry: from nanoparticles to technology

Hallmarks of mechanochemistry: from nanoparticles to technology

Numerical simulations of atomic-scale disordering processes at impact between two rough crystalline surfaces

The Mechanochemical Route to Nanoscale

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