“…The two findings indicate that the heterogeneous Cu/Ta NMMs shows a good deformation compatibility among the Cu and Ta layers during compression process. We note that the previous simulation studies by Wang et al [36] showed that a typical fcc/fcc heterogeneous nanolayered structure stacked by soft Cu and hard Ni layers also exhibit an excellent deformation compatibility between two materials under uniaxial compression.…”
Section: Deformation Mechanisms Of the Heterogeneousmentioning
confidence: 51%
“…After the relaxation, the heterogeneous Cu/Ta NMMs structures are subjected to elongation or compression at a constant strain rate. The strain rate is chosen as 1 × 10 9 s −1 , which is a commonly used value in previous simulation studies of NMMs structures [27,28,30,31,[34][35][36]. Figure 1(b) illustrates the loading directions, where the tensile loading is parallel to the Cu/Ta interfaces and along the X direction, while the compressive loading is perpendicular to the interface and along the Z axis.…”
Section: Simulation Modelmentioning
confidence: 99%
“…Nevertheless, the majority of the simulation studies have focused on the homogeneous NMMs that consist of nanolayers with identical thickness. Recently, Wang et al [36] used MD simulations to study the deformation behaviors of a heterogeneous NMMs by incorporating 2.5 nm and 24 nm Cu/Ni bilayers under uniaxial compression. They showed that such a heterogeneous nanolayered design can promote the dislocation activities of the hard Ni layers during the compression process, so that the soft Cu and hard Ni layers are capable of deforming synchronically in the heterogeneous NMMs; however, they focused their attention on the deformation compatibility of the face-centered cubic (fcc)/fcc heterogeneous composite, and a thorough understanding of the mechanical properties and deformation mechanisms of the heterogeneous fcc/body-centered cubic (bcc) NMMs is still limited.…”
Molecular dynamics simulations are performed to study the mechanical properties and deformation mechanisms of a heterogeneous fcc/bcc Cu/Ta nanolayered composite under uniaxial tension and compression. The results show that the stress-strain curves exhibit two main yield points in tension while only one yield point during compression, and the deformation primarily experiences three stages. The first stage is linearly elastic at small strains, followed by the nucleation and propagation of dislocations and stacking faults in the Cu layers, and eventually the Ta layers yield to plastic deformation. The yield of the specimen is mainly determined by the dislocation evolution in the hard phase (i.e. Ta layers), which leads to a sharp drop in the stress-strain curve. We show that the heterogeneous nanolayered composite exhibits a good deformation compatibility during compression but an obvious deformation incompatibility between Cu and Ta layers in tension. The temperature effect is also systematically investigated. It is revealed that the yield of the specimen at higher temperature depends only on the dislocation evolution in the thick Ta layers, and the yield strengths in tension and compression both decrease with the increasing temperature. In particular, our computations show that high temperature can significantly suppress the dislocation activities in the Cu layers during deformation, which results in a lower dislocation density of the Cu layers compared with that of the Ta layers and thus causing an incompatible fashion among the constituent layers.
“…The two findings indicate that the heterogeneous Cu/Ta NMMs shows a good deformation compatibility among the Cu and Ta layers during compression process. We note that the previous simulation studies by Wang et al [36] showed that a typical fcc/fcc heterogeneous nanolayered structure stacked by soft Cu and hard Ni layers also exhibit an excellent deformation compatibility between two materials under uniaxial compression.…”
Section: Deformation Mechanisms Of the Heterogeneousmentioning
confidence: 51%
“…After the relaxation, the heterogeneous Cu/Ta NMMs structures are subjected to elongation or compression at a constant strain rate. The strain rate is chosen as 1 × 10 9 s −1 , which is a commonly used value in previous simulation studies of NMMs structures [27,28,30,31,[34][35][36]. Figure 1(b) illustrates the loading directions, where the tensile loading is parallel to the Cu/Ta interfaces and along the X direction, while the compressive loading is perpendicular to the interface and along the Z axis.…”
Section: Simulation Modelmentioning
confidence: 99%
“…Nevertheless, the majority of the simulation studies have focused on the homogeneous NMMs that consist of nanolayers with identical thickness. Recently, Wang et al [36] used MD simulations to study the deformation behaviors of a heterogeneous NMMs by incorporating 2.5 nm and 24 nm Cu/Ni bilayers under uniaxial compression. They showed that such a heterogeneous nanolayered design can promote the dislocation activities of the hard Ni layers during the compression process, so that the soft Cu and hard Ni layers are capable of deforming synchronically in the heterogeneous NMMs; however, they focused their attention on the deformation compatibility of the face-centered cubic (fcc)/fcc heterogeneous composite, and a thorough understanding of the mechanical properties and deformation mechanisms of the heterogeneous fcc/body-centered cubic (bcc) NMMs is still limited.…”
Molecular dynamics simulations are performed to study the mechanical properties and deformation mechanisms of a heterogeneous fcc/bcc Cu/Ta nanolayered composite under uniaxial tension and compression. The results show that the stress-strain curves exhibit two main yield points in tension while only one yield point during compression, and the deformation primarily experiences three stages. The first stage is linearly elastic at small strains, followed by the nucleation and propagation of dislocations and stacking faults in the Cu layers, and eventually the Ta layers yield to plastic deformation. The yield of the specimen is mainly determined by the dislocation evolution in the hard phase (i.e. Ta layers), which leads to a sharp drop in the stress-strain curve. We show that the heterogeneous nanolayered composite exhibits a good deformation compatibility during compression but an obvious deformation incompatibility between Cu and Ta layers in tension. The temperature effect is also systematically investigated. It is revealed that the yield of the specimen at higher temperature depends only on the dislocation evolution in the thick Ta layers, and the yield strengths in tension and compression both decrease with the increasing temperature. In particular, our computations show that high temperature can significantly suppress the dislocation activities in the Cu layers during deformation, which results in a lower dislocation density of the Cu layers compared with that of the Ta layers and thus causing an incompatible fashion among the constituent layers.
“…The rapid development of modern industry has put forward higher requirements for the comprehensive performance of engineering metals. Many effective strategies have been proposed for improving the performance of engineering metals, such as microstructure optimization design 1 − 4 and alloying methods, 5 − 7 among which the alloying strategy commonly based on a single primary element has tended to be the bottleneck of performance. At the beginning of this century, a kind of novel alloying strategy based on several primary elements was proposed, which broke the limitations of traditional methods.…”
Section: Introductionmentioning
confidence: 99%
“…The rapid development of modern industry has put forward higher requirements for the comprehensive performance of engineering metals. Many effective strategies have been proposed for improving the performance of engineering metals, such as microstructure optimization design − and alloying methods, − among which the alloying strategy commonly based on a single primary element has tended to be the bottleneck of performance. At the beginning of this century, a kind of novel alloying strategy based on several primary elements was proposed, which broke the limitations of traditional methods. , The novel alloys are generally named as high/medium entropy alloys (HEAs/MEAs) because of their high configurational entropy, which often form compositionally complex solid solutions instead of intermetallic compounds. − In the past years, HEAs have attracted more attention and interest due to their excellent properties and performances, especially mechanical properties, − such as superior strength and hardness, − outstanding fracture toughness and ductility, , and remarkable resistance to friction and wear …”
A recently synthesized FCC/HCP nano-laminated dual-phase
(NLDP)
CoCrFeMnNi high entropy alloy (HEA) exhibits excellent strength–ductility
synergy. However, the underlying strengthening mechanisms of such
a novel material is far from being understood. In this work, large-scale
atomistic simulations of in-plane tension of the NLDP HEA are carried
out in order to explore the HCP phase volume fraction-dependent strengthening.
It is found that the dual-phase (DP) structure can significantly enhance
the strength of the material, and the strength shows apparent phase
volume fraction dependence. The yield stress increases monotonously
with the increase of phase volume fraction, resulting from the increased
inhibition effect of interphase boundary (IPB) on the nucleation of
partial dislocations in the FCC lamella. There exists a critical phase
volume fraction, where the flow stress is the largest. The mechanisms
for the volume fraction-dependent flow stress include volume fraction-dependent
phase strengthening effect, volume fraction-dependent IPB strengthening
effect, and volume fraction-dependent IPB softening effect, that is,
IPB migration and dislocation nucleation from the dislocation–IPB
reaction sites. This work can provide a fundamental understanding
for the physical mechanisms of strengthening effects in face-centered
cubic HEAs with a nanoscale NLDP structure.
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