skip to main content

Explore Research Products in the NSF-PAR

Title: Fracture resistance of Cu/Nb metallic nanolayered composite
In this work, molecular dynamics simulations to explore the crack propagation and fracture behavior of Cu/Nb metallic nanolayered composites (MNCs) were performed. The results of this study are consistent with the previous experimental results, which illustrated that cracks in Cu and Nb layers may exhibit different propagation paths and distances under the isostrain loading condition. The analysis reveals that the interface can increase the fracture resistance of the Nb layer in Cu/Nb MNCs by providing the dislocation sources to generate the plastic strain at the front of the crack. Increasing the layer thickness can enhance the fracture resistance of both Cu and Nb layers, as the critical stress for activating the dislocation motion decreases with the increment of the layer thickness. In addition, grain boundaries (GBs) in polycrystalline Cu/Nb samples would decrease the fracture resistance of Nb layer by promoting the crack propagate along the GBs, i.e., intergranular fracture, while the effect of interface and layer thickness on the fracture resistance of MNCs will not be altered by introducing the GBs in MNCs.  more » « less
Award ID(s):
1652662
NSF-PAR ID:
10128842
Author(s) / Creator(s):
;
Date Published:
Journal Name:
Journal of Materials Research
Volume:
34
Issue:
9
ISSN:
0884-2914
Page Range / eLocation ID:
1533 to 1541
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. ; ; ; ( , Journal of Materials Research)
    Nanoscale metallic material composites consisting of bilayer and trilayer systems of two and three different metallic alternating layers show significant gains in hardness over monolithic single phase films. One of the main applications of these composites can be as protective coatings to technical components to increase their lifespan acting as a mechanical barrier to the carriers of permanent deformation. In this work, we study the strength of bilayer structures made of alternating layers of niobium (Nb) and copper–nickel (Cu–Ni) alloys. The effect of the layer size and composition on strength and hardening as well as the effect of the metal–alloy interface on the dislocation motion is investigated. The simulations reveal a close relationship between the atomic composition of the alloy and the hardening of the film. The results are also compared with experimental findings on nanopillars made of similar structures, and strong similarities are revealed and discussed. 
    more » « less
  2. ; ; ; ( , Journal of The Electrochemical Society)

    A theoretical analysis on crack formation and propagation was performed based on the coupling between the electrochemical process, classical elasticity, and fracture mechanics. The chemical potential of oxygen, thus oxygen partial pressure, at the oxygen electrode-electrolyte interface (μO2OE∣El) was investigated as a function of transport properties, electrolyte thickness and operating conditions (e.g., steam concentration, constant current, and constant voltage). Our analysis shows that: a lower ionic area specific resistance (ASR),riOE,and a higher electronic ASR (reOE) of the oxygen electrode/electrolyte interface are in favor of suppressing crack formation. TheμO2OE∣El,thus local pO2, are sensitive towards the operating parameters under galvanostatic or potentiostatic electrolysis. Constant current density electrolysis provides better robustness, especially at a high current density with a high steam content. While constant voltage electrolysis leads to greater variations ofμO2OE∣El.Constant current electrolysis, however, is not suitable for an unstable oxygen electrode becauseμO2OE∣Elcan reach a very high value with a gradually increasedriOE.A crack may only occur under certain conditions whenpO2TPB>pcr.

     
    more » « less
  3. ; ; ; ; ; ; ( , Advanced Energy Materials)
    Abstract

    Solid‐state batteries (SSBs), utilizing a lithium metal anode, promise to deliver enhanced energy and power densities compared to conventional lithium‐ion batteries. Penetration of lithium filaments through the solid‐state electrolytes (SSEs) during electrodeposition poses major constraints on the safety and rate performance of SSBs. While microstructural attributes, especially grain boundaries (GBs) within the SSEs are considered preferential metal propagation pathways, the underlying mechanisms are not fully understood yet. Here, a comprehensive insight is presented into the mechanistic interactions at the mesoscale including the electrochemical‐mechanical response of the GB‐electrode junction and competing ion transport dynamics in the SSE. Depending on the GB transport characteristics, a highly non‐uniform electrodeposition morphology consisting of either cavities or protrusions at the GB‐electrode interface is identified. Mechanical stability analysis reveals localized strain ramps in the GB regions that can lead to brittle fracture of the SSE. For ionically less conductive GBs compared to the grains, a crack formation and void filling mechanism, triggered by the heterogeneous nature of electrochemical‐mechanical interactions is delineated at the GB‐electrode junction. Concurrently, in situ X‐ray tomography of pristine and failed Li7La3Zr2O12(LLZO) SSE samples confirm the presence of filamentous lithium penetration and validity of the proposed mesoscale failure mechanisms.

     
    more » « less
  4. ; ( , Materials Research Society)
    The major focus of artificial intelligence (AI) research is made on biomimetic synaptic processes that are mimicked by functional memory devices in the computer industry [1]. It is urgent to find a memory technology for suiting with Brain-Inspired Computing to break the von Neumann bottleneck which limits the efficiency of conventional computer architectures [2]. Silicon-based flash memory, which currently dominates the market for data storage devices, is facing challenging issues to meet the needs of future data storage device development due to the limitations, such as high-power consumption, high operation voltage, and low retention capacity [1]. The emerging resistive random-access memory (RRAM) has elicited intense research as its simple sandwiched structure, including top electrode (TE) layer, bottom electrode (BE) layer, and an intermediate resistive switching (RS) layer, can store data using RS phenomenon between the high resistance state (HRS) and the low resistance state (LRS). This class of emerging devices is expected to outperform conventional memory devices [3]. Specifically, the advantages of RRAM include low-voltage operation, short programming time, great cyclic stability, and good scalability [4]. Among the materials for RS layer, indium gallium zinc oxide (IGZO) has attracted attention because of its abundance and high atomic diffusion property of oxygen atoms, transparency, and its easily modulated electrical properties by controlling the stoichiometric ratio of indium and gallium as well as oxygen potential in the sputter gas [5, 6]. Moreover, since the IGZO can be applied to both the thin-film transistor (TFT) channel and RS layer, the IGZO-based fully integrated transparent electronics are very promising [5]. In this work, we proposed transparent IGZO-based RRAMs. First, we chose ITO to serve as both TE and BE to achieve high transmittance in the visible regime of light. All three layers (TE, RS, BE layers) were deposited using a multi-target magnetron sputtering system on glass substrates to demonstrate fully transparent oxide-based devices. I-V characteristics were evaluated by a semiconductor parameter analyzer, and our devices showed typical butterfly curves indicating the bipolar RS property. And the IGZO-based RRAM can survive more than 50 continuous sweeping cycles. The optical transmission analysis was carried out via an UV-Vis spectrometer and the average transmittance around 80% out of entire devices in the visible-light wavelength range, implying high transparency. To investigate the thickness dependence on the properties of RS layer, 50nm, 100nm and 150nm RS layer of IGZO RRAM were fabricated. Also, the oxygen partial pressure during the sputtering of IGZO was varied to optimize the property because the oxygen vacancy concentration governs the RS and RRAM performance. Electrode selection is crucial and can impact the performance of the whole device [7]. Thus, Cu TE was chosen for our second type of device because the diffusion of Cu ions can be beneficial for the formation the conductive filament (CF). Finally, a ~5 nm SiO2 barrier layer was employed between TE and RS layers to confine the diffusion of Cu into the RS layer. At the same time, this SiO2 inserting layer can provide an additional interfacial series resistance in the device to lower the off current, consequently, improve the on/off ratio and whole performance. In conclusion, the transparent IGZO-based RRAMs were established. To tune the property of RS layer, the thickness layer and sputtering conditions of RS were adjusted. In order to engineer the diffusion capability of the TE material to the RS layer and the BE, a set of TE materials and a barrier layer were integrated in IGZO-based RRAM and the performance was compared. Our encouraging results clearly demonstrate that IGZO is a promising material in RRAM applications and overcoming the bottleneck of current memory technologies. 
    more » « less
  5. ; ; ; ; ; ; ; ; ( , Journal of Materials Research)
    Nanocrystalline and nanolaminated materials show enhanced radiation tolerance compared with their coarse-grained counterparts, since grain boundaries and layer interfaces act as effective defect sinks. Although the effects of layer interface and layer thickness on radiation tolerance of crystalline nanolaminates have been systematically studied, radiation response of crystalline/amorphous nanolaminates is rarely investigated. In this study, we show that irradiation can lead to formation of nanocrystals and nanotwins in amorphous CuNb layers in Cu/amorphous-CuNb nanolaminates. Substantial element segregation is observed in amorphous CuNb layers after irradiation. In Cu layers, both stationary and migrating grain boundaries effectively interact with defects. Furthermore, there is a clear size effect on irradiation-induced crystallization and grain coarsening. In situ studies also show that crystalline/amorphous interfaces can effectively absorb defects without drastic microstructural change, and defect absorption by grain boundary and crystalline/amorphous interface is compared and discussed. Our results show that tailoring layer thickness can enhance radiation tolerance of crystalline/amorphous nanolaminates and can provide insights for constructing crystalline/amorphous nanolaminates under radiation environment. 
    more » « less
  • Citation Formats
  • MLA
  • APA
  • Chicago
  • BibTeX
  • Save / Share this Record
  • Send to Email