Ni System Research Articles

Microstructural and Morphological Properties of AlNiCo and CoNi Alloys: An In-Depth Study Based on Low-Energy Mechanical Alloying

This study focused on synthesizing AlNiCo and CoNi materials using a low-energy milling process. The aim was to explore the formation of low-energy phases in both systems, contrasting with the typical research on phases formed under high-energy conditions. In the Co-20 wt% Ni system, the phases Co0.75Ni0.25 and Ni were identified, as well as the FCC cubic phase of CoNi, using X-ray diffraction (XRD) with a molybdenum radiation source. The observed behavior aligned closely with the miscibility curve in the equilibrium phase diagram, which included a region of alloys with varying structures and similar compositions. A notable feature was the presence of a predominantly dispersed hexagonal Ni zone, consisting of nanoparticles. Transmission electron microscopy (TEM) was employed to observe the FCC CoNi phase, which displayed a specific arrangement. AlNiCo and CoNi alloys were successfully synthesized through mechanical alloying, incorporating equilibrium and non-equilibrium phases.

Aluminum droplets on Ni substrates: Evaluating high-temperature oxidation at the liquid/gas interface

In reactive wetting aluminum (Al)/nickel (Ni) systems, oxides at liquid/gas (L/G) interfaces received less attention compared to intermetallic compounds forming at liquid Al/solid Ni interfaces yet potentially significantly influencing wetting properties. Between 900 and 1250 °C, we observed that the shape of sessile Al droplets with dense oxides at the L/G interface and intense interactions at liquid Al/solid Ni interfaces deviates from a spherical cap and can be used as a way to characterize the oxide evolution. This approach reveals a critical temperature of 1100 °C under a PO2 level of 3.9 × 10−9 atm and a vacuum level of ∼2 × 10−2 mbar. Above it, Al2O3 oxides at the L/G interface are eliminated as Al2O gas, while at lower temperatures, they develop as a mixture of Al2O3 oxides and Al-Ni intermetallic compounds with Ni being dissolved from the substrate. At high temperatures (above 1200 °C), despite oxide-free L/G interfaces, non-spherical cap shapes were also obtained due to the formation of sharp edges at the contact line triggered by the growth of intermetallic compounds. The coupling between the droplet shapes and the interfacial interactions is further confirmed by in-situ observation of oxides, analysis of quenched samples and thermodynamic calculations. The proposed method can be potentially applied to multiple reactive wetting systems (e.g. Sn/Cu, Al/Fe, Mg/Ni systems), which are crucial for high-temperature processes such as soldering, coating, and processing of metal matrix composites.

Development of 2D Ir-DMG nanosheets as a colorimetric sensor probe for Ni (II) sensing and a highly sensitive, reliable, and portable colorimetric sensor device for environmental analysis

The era of nanomaterials made a revolutionary change in colorimetric sensing with ultra-high sensitivity, improved reactivity, and enhanced photoactivity. The first-ever novel 2D metal–organic nanosheets were synthesized using IrCl3 and Dimethylglyoxime (DMG) by probe ultrasonication (PUS) followed by a solvothermal wet-chemical approach. This material has shown a rapid color change from yellow to crimson red with Ni (II) after the formation of complex. The UV–visible absorption spectra are the conventional methodology for colorimetric sensors and here, it was given a perfect linear relationship with an R2 of 0.99 and an LOD of 1.60 µM (0.1 ppm). The average calculated molar extinction coefficient for this system was 1889.30 M−1 cm−1. This is comparatively high absorptivity value. In addition, a novel Arduino-based colorimetric sensor device and corresponding software were developed under the name of “Chrom Metrics”. This Arduino device is unique since it can sense all wavelengths and the combined RGB delta E values. Therefore, it can provide more information/rationale for colorimetry than other devices/methods. The same Ir-DMG & Ni (II) system showed a perfect linear relationship with an R2 of 0.98 and a LOD of 0.85 µM (0.05 ppm) by the data obtained from this sensor device. Thus, this new device is easier and more accurate, highly efficient, rapid, highly selective, and sensitive.

Vacuum synthesis of composite powder of Al–Ni system for fabricating aluminum-matrix composite reinforced with Al3Ni particles

Vacuum synthesis of composite powder of Al–Ni system for fabricating aluminum-matrix composite reinforced with Al3Ni particles

Steric Influences on Chain Microstructure in Palladium-Catalyzed α-Olefin (Co)polymerization: Unveiling the Steric-Deficient Effect.

This study addresses the challenge of controlling branching density and branch-type distribution in late-transition-metal-catalyzed chain walking polymerizations. We explored α-diimine Pd(II) complexes with incrementally increased ortho-aryl sterics for long-chain α-olefin (co)polymerization. Pd0-Pd3 catalysts, which feature gradually increased ortho-aryl sterics and at least one small CH3 substituent, exhibited similar 2,1-insertion fractions (44-50%), polymer branching densities (55-63/1000C), and melting temperatures (26-28 °C). In contrast, Pd4 with bulky ortho-aryl sterics covering all sides demonstrated a significant increase in 2,1-insertion fractions up to 82%, leading to "PE-like" polymers with high melting temperatures (Tm > 111 °C). This abrupt change in polymerization behavior, termed the "steric-deficient effect", contrasts with the gradual changes observed in similar Ni(II) systems that we reported previously. Furthermore, due to the rapid chain walking ability of Pd(II) catalysts in long-chain α-olefin (co)polymerization, these catalysts favor the production of polyolefins with higher proportions of methyl branches compared to those produced by Ni(II) catalysts. Particularly, these Pd(II) catalysts are capable of synthesizing functionalized semicrystalline copolymers by copolymerizing 1-octene with a variety of polar comonomers, thereby significantly altering the surface properties of the materials.

Enhanced CO2 Reduction on a Cu-Decorated Single-Atom Catalyst via an Inverse Sandwich M-Graphene-Cu Structure.

The highly active and selective electrochemical CO2 reduction reaction (CO2RR) can be exploited to produce valuable chemicals and fuels and is also crucial for achieving clean energy goals and environmental remediation. Decorated single-atom catalysts (D-SACs), which feature synergistic interactions between the active metal site (M) and an axially decorated ligand, have been extensively explored for the CO2RR. Very recently, novel double-atom catalysts (DACs) featuring inverse sandwich structures were theoretically proposed and identified as promising CO2RR electrocatalysts. However, the experimental synthesis of DACs remains a challenge. To facilitate the fabrication and to realize the potential of these novel DACs, we designed a D-SAC system, denoted as M1@gra+Cuslab. This system features a graphene layer with a vacancy-anchored SAC, all stacked on a Cu(111) surface, thereby embodying a Cu slab-supported inverse sandwich M-graphene-Cu structure. Using density functional theory calculations, we evaluated the stability, selectivity, and activity of 27 M1@gra+Cuslab systems (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Nb, Mo, Ru, Rh, Pd, Ag, Cd, Hf, Ta, W, Re, Os, Ir, Pt, or Au) and showed five M1@gra+Cuslab (M = Co, Ni, Cu, Rh, or Pd) systems exhibit optimal characteristics for the CO2RR and can potentially outperform their SAC and DAC counterparts. This study offers a new strategy for developing highly efficient CO2RR D-SACs with an inverse sandwich structural moiety.

The impact of small Zr addition to Al–Ni cast alloy for elevated temperature applications

Most aluminium casting alloys are based on the eutectic system Al–Si, which has weak thermal properties. Alloys from the eutectic Al–Ni system on the other hand have higher thermal stability and good casting properties and are therefore promising for casting applications. Using casting simulations, a copper mold was designed to achieve cooling rates above 100 K/s with the aim of producing a Zr-rich supersaturated solid solution. Microstructural analysis revealed that the addition of Zr leads to notable changes in the microstructure characterised by the formation of primary Al3Zr and αAl dendrites. Subsequent heat treatment revealed that Zr-enriched alloys undergo significant age hardening, which showed an improvement in microhardness due to effective Al3Zr precipitation.

Natural Alloys of the Cu–Ni System from Impactites of the Lonar Crater (India) and Lunar Regolith

Natural Alloys of the Cu–Ni System from Impactites of the Lonar Crater (India) and Lunar Regolith

Microstructures and hydrogen evolution reaction performance of Ru-M(M=Cu, Ni and Nb) system by magnetron sputtering: The mixing enthalpy effect

Nanostructured hydrogen evolution reaction (HER) electrocatalysts were prepared by magnetron sputtering. With increasing sputtering power of the Ru target, the catalytic performance of Cu-Ru system improved. Pure Ru sample shows the best performance, due to the larger electrochemical surface area, better hydrophily and smaller electron transfer impedance. No Cu-Ru interaction to improve the catalytic property was observed. This can be attributed to the formation of Cu and Ru nanograins rather than CuRu alloys, due to the repulsive force between Ru and Cu resulted by the positive mixing enthalpy. For Ni-Ru system with a mixing enthalpy close to 0, nanocrystalline NiRu alloys formed. Ru1Ni3 showed a high HER performance close to pure Ru due to the synergistic effect. Nb-Ru also shows synergistic interaction to improve the HER performance. Though the active area is smaller than pure Ru, Nb1Ru1 sample achieves an overpotential of 39 mV at a current density of 10 mA/cm2, lower than that of pure Ru. The main reason can be attributed to the formation of amorphous/crystalline heterojunction due to the negative mixing enthalpy. This promotes the charge transfer at the interface, leading to a smaller electrochemical impedance. The Nb1Ru1 sample also shows better stability for 100 h test with an increasing of only 6 mV of the overpotential at 10 mA/cm2.

Unveiling the geometrical and mechanical properties of Σ3 (111) grain boundaries in Ni-based alloys: From interfacial insights

Understanding the properties of interfaces and grain boundaries is pivotal for advancing the design and performance of modern materials and devices. The mechanical strength and durability of materials are significantly influenced by the integrity of these interfaces and grain boundaries. In this study, we employ density functional theory calculations to investigate the geometries, electronic properties, and mechanical behaviors of Σ3 (111) grain boundaries in Ni, AlNi3, and FeNi3 systems. Result reveals that these grain boundaries exhibit trigonal, hexagonal, and hexagonal close-packed structures with minimal bond length distortions, attributed to specific misorientation angles of 60°. They also demonstrate bonding characteristics akin to their corresponding polycrystalline bulk materials, indicating stability and twist character with anti-phase boundaries. Evaluation of grain boundary energetics indicates low energy values and stability across the studied systems. Furthermore, we conduct a detailed examination of the interfacial grain boundary structures of Σ3 (111) Ni/AlNi3 and Σ3 (111) Ni/FeNi3, revealing trigonal closed space configurations with twist character and anti-phase boundaries. Electron localization in interfacial regions suggests a metallic nature of interfacial bonds, supported by density of state calculations and positive Cauchy pressure. Assessment of mechanical properties indicate ductile behavior due to structural heterogeneity, moderate anisotropy. Overall, present study underscores the enhanced mechanical properties resulting from heterogeneity, offering promise for future applications in advanced materials and devices. Additionally, a comparative analysis with highlights the advancements and contributions of this study to the existing body of knowledge.

Unraveling elastochemical effects in microstructural evolution of Al–Cu–Ni system through DFT-informed multi-phase field simulations

Through the multi-phase field method, this research explores microstructure evolution within the Al–Cu–Ni system comprising Al-rich FCC, Al2Cu, and Al3Ni intermetallic compounds (IMCs). Notably, the Al3Ni exhibits substantial growth due to its higher free energy magnitude, while the Al2Cu phase diminishes within the FCC matrix. Additionally, this study investigates the impact of heterogeneous elastic effects on these microstructural changes. Density functional theory calculations were employed to determine temperature-dependent elastic tensor at a simulation temperature of 723 K. Initially both cases, simulations with elastic constants at 0 K and 723 K, start with identical grain areas. But by 21.45 ms, deviations notably intensify to 18.18% for single grains, underlining the importance of temperature-calibrated elastic tensor in the phase evolution driven by elastochemical effects.

Degradation of iron‐nickel alloy interconnects in contact with lanthanum nickelates based double‐layer electrodes during long‐term tests

AbstractThis paper focuses on long‐term tests held during 1,000 h on different Membrane‐Electrode‐Interconnect Assemblies (MEIAs), consisting of an Fe‐Ni alloy interconnect and an electrochemical cell based on a Ce0.8Sm0.2O2–δ electrolyte, the double‐layer working electrode with a La2NiO4 + δ – Ce0.8Sm0.2O2–δ composite functional layer, and a LaNi0.6Fe0.4O3–δ current collector layer, and a platinum reference electrode (O2, LaNi0.6Fe0.4O3–δ|La2NiO4 + δ – Ce0.8Sm0.2O2–δ|Ce0.8Sm0.2O2–δ|Pt, O2). These tests were carried out on MEIAs with the Cr‐free 47ND alloy of the Fe–Ni system with and without surface modification at 850°C in air. The electrochemical performance of MEIAs was studied without polarization as well as under cathodic and anodic polarization with current density 0.5 A cm−2 by means of electrochemical impedance spectroscopy (EIS). The mechanism of the MEIA evolution during long‐term test is discussed.

Divergent redistribution behavior of divalent metal cations associated with Fe(II)-mediated jarosite phase transformation

The Fe(II)/Fe(III) cycle is an important driving force for dissolution and transformation of jarosite. Divalent heavy metals usually coexist with jarosite; however, their effects on Fe(II)-induced jarosite transformation and different repartitioning behavior during mineral dissolution-recrystallization are still unclear. Here, we investigated Fe(II)-induced (1 mM Fe(II)) jarosite conversion in the presence of Cd(II), Mn(II), Co(II), Ni(II) and Pb(II) (denoted as Me(II), 1 mM), respectively, under anaerobic condition at neutral pH. The results showed that all co-existing Me(II) retarded Fe(II)-induced jarosite dissolution. In the Fe(II)-only system, jarosite first rapidly transformed to lepidocrocite (an intermediate product) and then slowly to goethite; lepidocrocite was the main product. In Fe(II)–Cd(II), -Mn(II), and -Pb(II) systems, coexisting Cd(II), Mn(II) and Pb(II) retarded the above process and lepidocrocite was still the dominant conversion product. In Fe(II)–Co(II) system, coexisting Co(II) promoted lepidocrocite transformation into goethite. In Fe(II)–Ni(II) system, jarosite appeared to be directly converted into goethite, although small amounts of lepidocrocite were detected in the final product. In all treatments, the appearance or accumulation of lepidocrocite may be also related to the re-adsorption of released sulfate. By the end of reaction, 6.0 %, 4.0 %, 76.0 % 11.3 % and 19.2 % of total Cd(II), Mn(II), Pb(II) Co(II) and Ni(II) were adsorbed on the surface of solid products. Up to 49.6 %, 44.3 %, and 21.6 % of Co(II), Ni(II), and Pb(II) incorporated into solid product, with the reaction indicating that the dynamic process of Fe(II) interaction with goethite may promote the continuous incorporation of Co(II), Ni(II), and Pb(II).

Influence of vacancy type defects on the exchange integrals in ferromagnetic metals: a Monte-Carlo-based approach

Estimating exchange interactions in real systems, particularly with defects like vacancies and impurities, poses significant challenges. A classical Monte-Carlo spin simulation within an atomistic machine-learning framework is utilized to predict the pairwise exchange interactions in ideal and defective bcc Fe and fcc Ni systems. The results closely replicate the experimental Curie temperature, with a reduction in exchange interaction by ∼1 meV for the system with cluster vacancy concentration up to 6%. An exponential relationship is established between the classical rescaling parameter α and microscopic exchange interaction enhancing α up to 3.35 and 2.5 in Fe and Ni, respectively. Additionally, the spin wave stiffness constant calculated using the near neighbor Heisenberg model demonstrates a dampening in both Fe and Ni with the inclusion of cluster vacancies.

Enhanced production of hydrogen via catalytic methane decomposition on a Pt7-Ni (110) substrate: a reactive molecular dynamics investigation

Abstract Numerous researchers in the energy field are engaged in a competitive race to advance hydrogen as a clean and environmentally friendly fuel. Studies have been conducted on the different aspects of hydrogen, including its production, storage, transportation and utilization. The catalytic methane decomposition technique for hydrogen production is an environmentally friendly process that avoids generating carbon dioxide gas, which contributes to the greenhouse effect. Catalysts play a crucial role in facilitating rapid, cost-effective and efficient production of hydrogen using this technique. In this study, reactive molecular dynamics simulations were employed to examine the impact of Pt7 cluster decoration on the surface of a Ni (110) catalyst, referred to as Pt7-Ni (110), on the rates of methane dissociation and molecular hydrogen production. The reactive force field was employed to model the atomic interactions that enabled the formation and dissociation of chemical bonds. Our reactive molecular dynamics simulations using the Pt7-Ni (110) catalyst revealed a notable decrease in the number of methane molecules, specifically ~11.89 molecules per picosecond. The rate was approximately four times higher than that of the simulation system utilizing a Ni (110) catalyst and approximately six times higher than that of the pure methane, no-catalyst system. The number of hydrogen molecules generated during a simulation period of 150 000 fs was greater on the Pt7-Ni (110) surface than in both the Ni (110) and pure methane systems. This was due to the presence of numerous dissociated hydrogen atoms on the Pt7-Ni (110) surface.

Fabrication of low thermal expansion Fe–Ni alloys by in-situ alloying using twin-wire arc additive manufacturing

The binary Fe–Ni system offers alloys with notably low linear coefficients of thermal expansion (CTE), contingent upon their Ni content. In this respect twin-wire arc additive manufacturing (T-WAAM) presents the opportunity of in-situ alloying through the simultaneous feeding of two metal wires into a weld pool to obtain desired alloy compositions. This study aims to deposit a graded wall with Ni contents targeted at 42, 46, and 52 wt% in the building direction of the wall, along with a block comprising of 46 wt% Ni, employing the T-WAAM approach. The results show effective incorporation of additional Ni into the weld pool and geometrically stable weld beads in the continuous metal transfer mode during the T-WAAM process. This mode led to the defect-free and chemically stable deposition of the graded wall and the block with average Ni contents of 42.3 ± 1.1, 45.8 ± 1.4, 52.6 ± 0.8 wt%, and 46.4 ± 0.9 wt%, respectively. The measured Curie temperatures of the as-deposited alloys and the mean CTE values of alloy 46 were found to be comparable to the commercial alloys. In summary, this study validates the feasibility of in-situ deposition of low thermal expansion alloy compositions, thereby enabling the possibility of on-demand thermal expansion properties.

Efficient thermodynamic model optimization and uncertainty quantification via integration of combinatorial materials chip and Bayesian approach

Combinatorial materials chips (CMC) are composition spread thin-films deposited on a substrate that can rapidly determine the compositional-temperature information of ternary phase diagrams by high-throughput characterization. In this study, phase boundary information determined by CMC from the recent studies was used as input to optimize the thermodynamic model parameters by ESPEI based on Bayesian approach. The uncertainties in the model were also quantified. Fe–Cr–Ni and Fe–Co–Ni systems were chosen as examples to demonstrate the effectiveness of process. The newly optimized phase diagrams are in good agreement with the experimental results. It is also verified that the model can be effectively optimized by the dense CMC phase boundary data only without including the scattered experimental data. Moreover, the uncertainty in the model is reduced with the addition of CMC data. Finally, probability distributions of various phase combinations in the phase diagram were calculated, providing confidence intervals for material design.

Nanosorbent based on coprecipitation of ZnO in goethite for competitive sorption of Cd(II)‑Pb(II) and Cd(II)‑Pb(II)‑Ni(II) systems

Nanosorbent based on coprecipitation of ZnO in goethite for competitive sorption of Cd(II)‑Pb(II) and Cd(II)‑Pb(II)‑Ni(II) systems

Density functional theory study of adsorption and dissociation of CH2Cl2 on the surfaces of transition metal (Fe, Co, Ni, and Cu)-doped carbon nanotubes

A DFT study was carried out on the adsorption capacity and dissociation mechanism of dichloromethane by intrinsic carbon nanotubes and Fe, Co, Ni and Cu adsorption-modified carbon nanotube systems. The calculated results indicated the dopant of transition metal can effectively enhance the electronic properties of carbon nanotubes. The adsorption of carbon nanotubes for CH2Cl2 is also enhanced, and the dissociations of CH2Cl2 on the four metal-decorated carbon nanotubes are exothermic. Especially in the case of Fe adsorption modification (adsorption energy reaches -1.91 eV), which is much higher than the intrinsic carbon nanotube adsorption energy of CH2Cl2 (-0.38 eV), and the reactive energy barrier of the dissociation process of the CH2Cl2 is as low as 0.493 eV Meanwhile, the dissociation process can occur spontaneously at room temperature, which contributes to the dissociation of CH2Cl2 on Fe adsorption-modified carbon nanotube systems, providing theoretical support for the subsequent governance process of CH2Cl2.

Phase equilibria, thermodynamic assessment, and the mechanical property of B2 phase of the Al-Ga-Ni ternary system

Ni-based alloys, known for their exceptional mechanical properties and high corrosion resistance in harsh environments, are extensively utilized in gas-turbine engines for propulsion and energy generation. Of particular interests are the L12-Ni3Al and B2-NiAl phases in Al-Ni alloy, which can be the strengthening phases for superalloy and high temperature structural materials, respectively. After Ga addition in the Al-Ni system, these promising intermetallic compounds form a continuous compositional range encompassing the L12-Ni3(Al, Ga) and B2-Ni(Al, Ga) phases. They exhibited distinct mechanical properties contingent on the ratio of Al to Ga. Additionally, Ni and Al are the commonly used substrates in the electronic package and Ga has been used as a filler material for interconnection. Hence, the Al-Ga-Ni phase equilibria are of practical importance for designing L12-Ni3(Al, Ga) and/or B2-Ni(Al, Ga) phase-dispersed Ni-based alloys as well as for evaluating interfacial reactions in the Al/Ga/Ni contacts. However, the Al-Ga-Ni ternary system remains relatively unexplored. In this study, Al-Ga-Ni isothermal sections at 600 (Ni-lean), 900, and 1000 (Ni-rich) °C were experimentally constructed based on equilibrated alloys. Additionally, a CALPHAD-type thermodynamic assessment for the Al-Ga-Ni ternary system was comprehensively performed based on all available experimental information. Furthermore, the Young's modulus and hardness of four B2-Al(Ga, Ni) compounds were determined, revealing that the addition of Ga to B2-NiAl phase would lead to a significant decrease in Young's modulus but a notable enhancement in hardness.