Jing Zhong

• Ph.D. Candidate
• PhD Student at Central South University

In this work, a framework for efficient phase-field simulation of microstructure evolution is developed and demonstrated in Ni-based superalloys. Firstly, a universal schema for phase-field simulation coupling with various CALPHAD-type data/databases is postulated. Identifiers for illustrating fruitful prerequisite properties/parameters for phase-f...

Physical Vapor Deposited (PVD) TiAlN coatings are extensively utilized as protective layers for cutting tools, renowned for their excellent comprehensive performance. To optimize quality control of TiAlN coatings for cutting tools, a multi-scale simulation approach is proposed that encompasses the microstructure evolution of coatings considering th...

NiTi shape memory alloys (SMAs) prepared by the laser powder bed fusion (LPBF) technology have demonstrated promise in aerospace and medical applications. Nevertheless, ensuring repeatability and customised design in printed parts remains challenging. This paper addressed this challenge by introducing a machine learning model that effectively predi...

Balancing the hardness and electrical conductivity of copper alloys within complex compositions and processes poses a formidable challenge. This study proposes a strategy combining machine learning with the Pareto front techniques to identify optimal combinations of composition and processing for Cu-xTi (1.5 ≤ x ≤ 5.4, in wt.%) alloys. Through ther...

In this study, we developed a Pareto optimal driven automation framework for quantitative Cahn–Hilliard simulation of spinodal decomposition processes exploiting the scarce experimental information. Multiple characteristic microstructure data were adopted as the targets for reasoning the hyperparameters and uncertain parameters of the Cahn–Hilliard...

In this study, insights into the effect of interfacial anisotropy on a complex hexagonal close-packed (hcp) dendritic growth during alloy solidification were gained by graphics processing unit (GPU)-accelerated three-dimensional (3D) phase-field simulations, as demonstrated for a Mg–Gd alloy. An anisotropic phasefield model with finite interface di...

金属增材制造涉及传热与传质、相变、晶粒生长、熔体流动等多个复杂物理过程，实现其微结构演变的定量模拟难度大。相场法采用序参量可描述气/液/固相、晶粒形状/取向等复杂微结构，且能直接引入描述各物理过程的场变量（如浓度、温度、熔体流速等），在金属增材制造过程微结构模拟方面显示出巨大优势。本文简要介绍了相场法的发展和分类，归纳了不同相场模型的特点，详细综述了不同相场模型在金属增材制造凝固过程中微结构演化模拟的研究进展，重点探讨了不同相场模型在金属增材制造领域应用的优势与局限性。最后，展望了相场法在金属增材制造领域的应用前景，并指出其发展方向。 Metal additive manufacturing involves many complex physical processes such as h...

Scandium is the best alloying element to improve the mechanical properties of industrial Al-Si-Mg casting alloys. Most literature reports devote to exploring/designing optimal Sc additions in different commercial Al-Si-Mg casting alloys with well-defined compositions. However, no attempt to optimize the contents of Si, Mg, and Sc has been made due...

Nine solid state Cu–Ni–Al–Zn quaternary diffusion couples were prepared, from which the concentration distributions of Cu, Ni, Al and Zn at 1123, 1173, and 1223 K were determined by using the electron probe microanalyzer (EPMA) technique. Utilizing the measured concentration profiles, the mobilities in fcc Cu–Ni–Al–Zn system were obtained, from whi...

In this paper, an efficient design of a Ti-modified Al-Si-Mg-Sr casting alloy with simultaneously enhanced strength and ductility was achieved by integrating computational thermodynamics, machine learning, and key experiments within the Bayesian optimization framework. Firstly, a self-consistent Al-Si-Mg-Sr-Ti quinary thermodynamic database was est...

In this work, a novel computational model for the description of the temperature- and composition-dependent isotropic interfacial energy in multicomponent alloys was first developed in the framework of the CALculation of PHAse Diagram (CALPHAD) approach and implemented in a home-made code. By linking to the open-source code for interfacial energy c...

Physical vapor deposition (PVD) is one of the most important techniques for coating fabrication. With the traditional trial-and-error approach, it is labor-intensive and challenging to determine the optimal process parameters for PVD coatings with best properties. A combination of three-dimensional (3-D) quantitative phase–field simulation and a hi...

Ever‐increasing demands for superior alloys with improved high‐temperature service properties require accurate design of their composition. However, conventional approaches to screen the properties of alloys such as creep resistance and microstructural stability cost a lot of time and resources. This work therefore proposes a novel high throughput–...

This study aims to incorporate a big dataset of composition profiles of fcc AlCoCrFeNi alloys, in addition to those of the related subsystem, to develop a self-consistent kinetic description for quinary high-entropy alloys. The latest feature of the HitDIC (High-throughput Determination of Interdiffusion Coefficients) code was adopted in a high-thr...

In this paper, 5 Ni–Al–Ru ternary and 2 NiAl/RuAl binary equilibrium alloys were prepared, and their lattice parameters were evaluated by using the X-ray diffraction technique. The relation between the lattice parameters and Ru content satisfies Vegard’s law, confirming that a continuous single bcc_B2 phase exists between NiAl and RuAl in the terna...

This work delivers a report on development of atomic mobility description with quantified uncertainties directly from concentration profiles via the Markov chain Monte Carlo algorithm as implemented in HitDIC software, which was demonstrated in fcc Cu–Ni–Sn ternary system. Different from the traditional mobility evaluation, the present new strategy...

In this paper, a general and effective strategy was first developed to maintain the CALPHAD atomic mobility database of multicomponent systems, based on the pragmatic numerical method and freely accessible HitDIC software, and then applied to update the atomic mobility descriptions of the hcp Mg–Al–Zn, Mg–Al–Sn, and Mg–Al–Zn–Sn systems. A set of th...

Nb3Sn plays an irreplaceable role in superconducting parts due to its stable performance under high field conditions. Accurate phase equilibria and interdiffusion coefficients are of great significance for designing novel Nb3Sn superconductors. However, the related experimental information is still in a state of scarcity because of the difficulty i...

High-throughput calculations/simulations are the prerequisite for the efficient design of high-performance materials. In this paper, a machine learning accelerated distributed task management system (Malac-Distmas) was developed to realize the high-throughput calculations (HTCs) and storage of various data. The machine learning was embedded in Mala...

In this paper, eight solid-state diffusion couples in fcc ternary Cu-Ni-Al alloys at 1073, 1173 and 1273 K were prepared, and the corresponding composition profiles were measured with an electron probe microanalyzer (EPMA) technique. Based on the measured composition profiles and HitDIC software, a set of reliable atomic mobility descriptions in th...

Nowadays, the urgency for the high-quality interdiffusion coefficients and atomic mobilities with quantified uncertainties in multicomponent/multi-principal element alloys, which are indispensable for comprehensive understanding of the diffusion-controlled processes during their preparation and service periods, is merging as a momentous trending in...

Accurate interdiffusion coefficients of composition and temperature dependence are significantly important for understanding different materials processes. However, the high-throughput determination of high-quality interdiffusion coefficients, especially in multicomponent systems, has been sustaining as a challenge in materials community. This revi...

In this work, a novel computational framework for establishment of atomic mobility database directly from the experimental composition profiles and its uncertainty quantification is developed by merging the Bayesian inference with the Markov chain Monte Carlo algorithm into the latest version of the HitDIC software. By treating the simulation of co...

The creep resistance of nickel-based superalloys at elevated temperature is inheritably correlated with interdiffusivity matrices, which are still difficult to be determined nowadays. In this work, the interdiffusion coefficient matrices of multicomponent nickel-based superalloys with seven alloying elements (i.e., Al, Ti, Cr, Co, Mo, Ta and W) at...

In this paper, we developed a general approach to quantify the uncertainties of interdiffusion coefficients in binary, ternary and multicomponent systems evaluated using the Boltzmann-Matano and related other methods together with the distribution functions. Various sources of errors from both experimental and calculation procedures and their propa...

In this paper, a parametric three-dimensional (3D) phase-field study of the physical vapor deposition process of metal thin films was performed aiming at quantitative simulations. The effect of deposition rate and model parameters on the microstructure of deposited thin films was investigated based on more than 200 sets of 3D phase-field simulation...

In this paper, a variety of experimental tracer diffusivities of Ni and O in nickel oxide in the literature were first assessed. Two groups of atomic mobilities including bulk and short-circuit diffusion of nickel and oxygen were then obtained. Afterwards, numerical simulations of growth of NiO during oxidation of pure Ni at different temperatures...

In this paper, an Open-source code for Interfacial Energy Calculation (OpenIEC, https://github.com/openiec) was developed by following Kaptay’s models (Acta Mater 60(19):6804–6813, 2012; J Mater Sci 53(5):3767–3784, 2018. https://doi.org/10.1007/s10853-017-1778-y). The coupling with the CALculation of PHAse Diagram thermodynamic and molar volume da...

In this paper, 3 fcc binary Ag-In and 3 fcc ternary Ag-Cu-In diffusion couples were firstly prepared. Based on the measured composition-distance profiles, both the traditional Matano method with distribution functions and the numerical inverse method with HitDIC were then utilized to determine the accurate interdiffusion coefficients in fcc Ag-In a...

Owning the excellent high temperature properties, low cost and density, Al-Co-Cr-Fe-Ni-Ti high-entropy superalloys (HESAs) represent a potential substitute for Ni-based superalloys. In this paper, the composition-dependent interdiffusivity matrices of face centered cubic (fcc) Al-Co-Cr-Fe-Ni-Ti HESAs at 1473 K were first determined via a combinatio...

In this paper, a free-accessible code for High-throughput Determination of Interdiffusion Coefficients (HitDIC, https://hitdic.com/) based on the numerical inverse method is introduced. HitDIC is developed to robotize the procedures to retrieve the reliable composition-dependent interdiffusivities from the experimental composition profiles of singl...

A coupling interface between phase-field model with finite interface dissipation and the CALPHAD (CALculation of PHAse Diagram) thermodynamic and atomic mobility databases is developed. It robotizes the procedures that provides the composition and temperature dependent properties in multicomponent and multi-phase systems. Based on the developed cou...

On purpose of studying the sluggish diffusion of high-entropy alloys, three different face centered cubic Co-Cr-Cu-Fe-Ni high-entropy alloys were prepared, and assembled into three groups of sandwich-type diffusion multiple annealed at 1273, 1323, and 1373K respectively. By means of the electron probe microanalyzer technique and recently developed...

High-throughput measurement using the numerical inverse method combined with the diffusion multiple technique was employed to determine the composition-dependent interdiffusion coefficients in fcc Al–Co–Cr–Fe–Ni high-entropy alloys at 1273, 1323, and 1373 K. The reliability of the obtained interdiffusion coefficients was confirmed by comparing the...

The previously developed numerical inverse method was applied to determine the composition-dependent interdiffusion coefficients in single-phase finite diffusion couples. The numerical inverse method was first validated in a fictitious binary finite diffusion couple by pre-assuming four standard sets of interdiffusion coefficients. After that, the...

Based on the experimental equilibrium data on spinodal decomposition in the literature together with the newly measured data in the present work, a complete metastable phase diagram for the pseudo-binary c–TiN/c-AlN system was constructed for the first time, from which a self-consistent thermodynamic description was then established by means of CAL...

Based on the recently developed numerical inverse method, high-throughput measurement of the composition-dependent interdiffusivity matrices in the bcc_A2 Fe-Mn-Si alloys at 1173, 1273 and 1373 K was performed in the present work. To verify the reliability of the presently determined interdiffusivities, the ternary interdiffusivities evaluated by t...

Based on 15 diffusion couples located in face centered cubic single-phase region of ternary Ni–Al–Mo system, high-throughput determination of composition-dependent interdiffusivity matrices at 1273, 1373, and 1473 K was performed by using the recently developed numerical inverse method. The determined main interdiffusivities over the investigated c...

By solving the problems in the previous pragmatic method [Scr. Mater.90–91, 53–56 (2014)] and including the interdiffusion flux as the criteria, an augmented numerical inverse method was proposed and realized in a house-made code. The proposed augmented numerical inverse method was successfully applied to high-throughput determination of the compos...