Multiscale Simulation of Microstructure Evolution during Preparation and Service Processes of Physical Vapor Deposited c-TiAlN Coatings

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 the entire preparation and service lifecycle of PVD TiAlN coatings.This scheme employs phase-field simulation to capture the essential microstructure of the PVD-prepared TiAlN coatings.Moreover,cutting simulation is used to determine the service temperature experienced during cutting processes at varying rates.Cahn-Hilliard modeling is finally utilized to consume the microstructure and service condition data to acquaint the microstructure evolution of TiAlN coatings throughout the cutting processes.This methodology effectively establishes a correlation between service temperature and its impact on the microstructure evolution of TiAlN coatings.It is expected that the present multi-scale numerical simulation approach will provide innovative strategies for assisting property design and lifespan prediction of TiAlN coatings.

Microstructure and mechanical properties of TiN/TiAlN multilayer coatings deposited by arc ion plating with separate targets

TiN/TiAlN multilayer coatings were prepared by arc ion plating with separate targets. In order to decrease the unfavorable macroparticles, a straight magnetized filter was used for the low melting aluminium target. The results show that the output plasmas of titanium target without filter and aluminium target with filter reach the substrate with the same order of magnitude. Meanwhile, the number of macropartieles in TiN/TiAlN multilayer coatings deposited with separate targets is only 1/10-1/3 of that deposited with alloy target reported in literature. Al atom addition may lead to the decrease of peak at （200） lattice plane and strengthening of peak at （111） and （220） lattice planes. The measured hardness of TiN/TiAlN multilayer coatings accords with the mixture principle and the maximum hardness is HV2495. The adhesion strength reaches 75 N.

Effect of N_(2) partial pressure on comprehensive properties of antibacterial TiN/Cu nanocomposite coating

Foreign body reactions to the wear debris and corrosion products from the implants,and bacterial infections are the main factors leading to the implant failures.In order to resolve these problems,the antibacterial TiN/Cu nanocomposite coatings with various N_(2) partial pressures were deposited on 304 stainless steels(SS)using an arc ion plating(AIP)system,named TiN/Cu-x(x=0.5,1.0,1.5 Pa).The results of X-ray diffraction analysis,energy-dispersive X-ray spectroscopy,and scanning electron microscopy showed that the N_(2) partial pressures determined the Cu contents,surface defects,and crystallite sizes of TiN/Cu nanocomposite coatings,which further influenced the comprehensive abilities.And the hardness and wear resistances of TiN/Cu coatings were enhanced with increase of the crystallite sizes.Under the co-actions of surface defects,crystallite sizes,and Cu content,TiN/Cu-1.0 and TiN/Cu-1.5 coatings possessed excellent corrosion resistance.Besides,the biological tests proved that all the TiN/Cu coatings showed no cytotoxicity with strong antibacterial ability.Among them,TiN/Cu-1.5 coating significantly promoted the cell proliferation,which is expected to be a novel antibacterial,corrosion-resistant,and wear-resistant coating on the surfaces of medical implants.

Structure and wear resistance of TiN and TiAlN coatings on AZ91 alloy deposited by multi-arc ion plating

In order to investigate the microstructure of TiN and TiAlN coatings and their effect on the wear resistance of Mg alloy, TiN and TiAlN coatings were deposited on AZ91 magnesium alloy by multi-arc ion plating technology.TiN and Ti70Al30N coatings were prepared on the substrate,respectively,which exhibited dark golden color and compact microstructure.The microstructures of TiN and Ti70Al30N coatings were investigated by X-ray diffractometry(XRD)and scanning electron microscopy(SEM).The micro-hardness and wear resistance of TiN and Ti70Al30N coatings were investigated in comparison with the uncoated AZ91 alloy. The XRD peaks assigned to TiN and TiAlN phases are found.The hardness of TiN coatings is two times as high as that of AZ91 alloy, and Ti70Al30N coating exhibits the highest hardness.The wear resistance of the hard coatings increases obviously as result of their high hardness.

Microstructures and properties of PVD TiAlN coating deposited on cermets with different Ti(C,N)grain size

In the present work,TiAlN coatings were deposited on Ti(C,N)-based cermet substrates by physical vapor deposition method.Emphasis was focused on the influence of grain size of cermet substrates on the microstructure,growth behavior,mechanical properties,adhesion strength and wear behavior of the coatings.The results show that finer Ti(C,N)grain size leads to higher nucleation density and lower growth rate of coatings,indicating the crystallite size of the TiAlN coatings decreases with decreasing Ti(C,N)grain size.Nanoindentation tests show that the coatings deposited on cermets of the finest grain size exhibit the highest hardness(H),elastic modulus(E),H/E and H3/E2 of 34.5 GPa,433.2 GPa,0.080 and 0.22,respectively.The adhesion strength between coating and substrate is also enhanced with decreasing Ti(C,N)grain size by scratch test,which corresponds to the grain size and H/E and H3/E2 of the coating.Besides,the lower surface roughness and better mechanical properties of the coating deposited on finer grained cermet contribute to the better wear resistance of the coating.

AFM Analysis of TiN, TiAlN, and TiAlSiN Coatings Prepared by Cathodic Arc Ion Plating

The TiN, TiAlN, and TiAlSiN coatings were prepared on YT14 cutting tool surface with CAIP（cathode arc ion plating）, the surface morphologies and phases were analyzed with FESEM（field emission scanning electron microscopy）, and XRD（X-ray diffraction）, respectively, and the coating parameters such as 3D surface micro-topography, grain size, surface height, hierarchy, profile height, and power spectral density, etc, were measured with AFM（atomic force microscope）. The results show that the phases of TiN, TiAlN, and TiAlSiN coatings are TiN, TiN＋TiAlN, TiN＋Si_3N_4＋TiAlN, respectively, while the surface roughness Sa of TiN, TiAlN, and TiAlSiN coatings is 75.3, 98.9, and 42.1 nm, respectively, and the roughness depth Sk is 209, 389, and 54 nm, respectively, the sequence of average grain sizes is TiAlN〉TiN〉TiAlSiN. The surface bearing index Sbi of TiN, TiAlN, and TiAlSiN coatings is 0.884, 1.01, and 0.37, respectively, and the sequence of surface bearing capability is TiAlN〉TiN〉TiAlSiN. At the lower wavelength（102-103 nm）, the power spectral densities have a certain correlation, and the sequence of TiN〉TiAlN〉TiAlSiN, while the correlation is low at the higher wavelength（〉103 nm）.

Effect of cermet substrate characteristics on the microstructure and properties of TiAlN coatings

The composition and structure of substrate materials have important influences on coating performance,especially in terms of bond-ing strength and coating hardness,which determine whether the coating can be used for a given application.In this study,a TiAlN coating is deposited on Ti(C,N)-based cermet(TC)substrates with 0wt%-20wt%WC by arc ion plating.The influence of cermet substrate characterist-ics on the structure and properties of the TiAlN coating is then researched.Results show that the TiAlN coating deposited on the TC substrate has a columnar grain structure.As WC increases,the strength ratio of I(111)/I(200)and adhesive strength of TiAlN gradually increases.In the ab-sence of WC in the substrate,the preferred orientation of the TiAlN coating is(200).As WC increases,the preferred orientation of the TiAlN coating becomes(111)and(200).Notable differences in adhesive strength between the coating and substrate could be attributed to the micro-structure and composition of the latter.Scratching results show that the adhesive strengths of the TiAlN coating on the 0wt%-20wt%WC cer-met substrate are 52-65 N.Among the coatings obtained that on the TC substrate with 15wt%WC presents the highest H/E and H3/E2,which indicates that this coating also features the best wear resistance.The failure mechanisms of the coated tools include coating peeling,adhesive wear,and abrasive wear.As the cutting speed increases,the degree of flank wear increases and the durability of the coating decreases accord-ingly.Increases in WC result in an initial decrease followed by a gradual increase in the flank wear of the coated cermet inserts.

Effect of bias voltage on microstructure,mechanical and tribological properties of TiAlN coatings

TiAlN multilayer coatings composed of TiAl and TiAlN layers were deposited on ZL109 alloys using filtered cathodic vacuum arc(FCVA)technology.The effect of bias voltage on the microstructure and properties of the coating was systematically studied.The results show that the coating exhibits a multi-phase structure dominated by TiAlN phase.As the bias voltage increases,the orientation of TiAlN changes from(200)plane to(111)plane due to the increase of atomic mobility and lattice distortion.The hardness,elastic modulus and adhesion of the coating show the same trend of change,that is,first increase and then decrease.When the bias voltage is 75 V,the coating exhibits the highest hardness(~30.3 GPa),elastic modulus(~229.1 GPa),adhesion(HF 2)and the lowest wear rate(~4.44×10^(−5)mm^(3)/(N·m)).Compared with bare ZL109 alloy,the mechanical and tribological properties of TiAlN coated alloy surface can effectively be improved.

Effects of nitrogen flux on microstructure and tribological properties of in-situ TiN coatings deposited on TC11 titanium alloy by electrospark deposition

In order to improve the tribological properties of titanium alloys,the in-situ TiN coatings were prepared by electrospark deposition（ESD） on the surface of TC11 titanium alloy.The effects of nitrogen flux on the microstructure and tribological properties of TiN coatings were investigated.The results show that the coating is relative thin when the nitrogen flux is small and mainly consists of Ti2N,α-Ti,Ti O and TiN phases,and the metastable phase of Ti2N is developed due to the rapid solidification of ESD.While in excessive nitrogen flux condition,many micro-cracks and holes might be generated in the coating.In moderate nitrogen flux,the coating is mainly composed of TiN phase,and is dense and uniform（50-55 μm）.The average hardness is HV0.2 1165.2,which is 3.4 times that of the TC11 substrate.The TiN coatings prepared in moderate nitrogen flux perform the best wear resistance.The wear loss of the coating is 0.4 mg,which is 2/9 that of the TC11 substrate.The main wear mechanisms of the coatings are micro-cutting wear accompanied by multi-plastic deformation wear.

Effects of surface roughness of substrate on properties of Ti/TiN/Zr/ZrN multilayer coatings

Ti/TiN/Zr/ZrN multilayer coatings were deposited on Cr_17Ni_2 steel substrates with different surface roughnesses by vacuum cathodic arc deposition method. Microstructure, micro-hardness, adhesion strength and cross-sectional morphology of the obtained multilayer coatings were investigated. The results show that the Vickers hardness of Ti/TiN/Zr/ZrN multilayer coating, with a film thickness of 11.37 μm, is 29.36 GPa. The erosion and salt spray resistance performance of Cr_17Ni_2 steel substrates can be evidently improved by Ti/TiN/Zr/ZrN multilayer coating. The surface roughness of Cr_17Ni_2 steel substrates plays an important role in determining the mechanical and erosion performances of Ti/TiN/Zr/ZrN multilayer coatings. Overall, a low value of the surface roughness of substrates corresponds to an improved performance of erosion and salt spray resistance of multilayer coatings. The optimized performance of Ti/TiN/Zr/ZrN multilayer coatings can be achieved provided that the surface roughness of Cr_17Ni_2 steel substrates is lower than 0.4μm.

Electrodeposition and corrosion resistance of Ni-P-TiN composite coating on AZ91D magnesium alloy

In order to improve the corrosion resistance and microhardness of AZ91D magnesium alloy, TiN nanoparticles were addedto fabricate Ni-P-TiN composite coating by electrodeposition. The surface, cross-section morphology and composition wereexamined using SEM, EDS and XRD, and the corrosion resistance was checked by electrochemical technology. The results indicatethat TiN nanoparticles were doped successfully in the Ni-P matrix after a series of complex pretreatments including activation, zincimmersion and pre-electroplating, which enhances the stability of magnesium alloy in electrolyte and the adhesion betweenmagnesium alloy and composite coating. The microhardness of the Ni-P coating increases dramatically by adding TiN nanoparticlesand subsequent heat treatment. The corrosion experimental results indicate that the corrosion resistance of Ni-P-TiN compositecoating is much higher than that of uncoated AZ91D magnesium alloy and similar with Ni-P coating in short immersion time.However, TiN nanoparticles play a significant role in long-term corrosion resistance of composite coatings.

Effect of 10% Si addition on cathodic arc evaporated TiAlSiN coatings

The effect of 10% Si （mole fraction） addition on TiAlSiN coatings was studied. Ti0.5Al0.5N, Ti0.5Al0.4Si0.1N and Ti0.55Al0.35Si0.1N coatings were deposited on WC？Co substrates by cathodic arc evaporation. The microstructure and mechanical properties were characterized by X-ray diffraction （XRD）, X-ray photoelectron spectroscopy （XPS）, scanning electron microscopy （SEM）, nano-indentation measurement and scratch test. The mechanisms of how Si affects the properties and failure modes of TiAlSiN coatings were also discussed. The results show that the addition of 10% Si results in the formation of nc-（Ti,Al,Si）N/a-Si3N4 nano-composite structure. The hardness and toughness of TiAlSiN coatings increase, whereas the coating adhesion strength decreases. Compared with Ti0.55Al0.35Si0.1N coating, Ti0.5Al0.4Si0.1N coating has higher hardness but lower toughness. The dominant failure mode of TiAlN coating is wedging spallation due to low toughness and strong interfacial adhesion. The dominant failure mode of TiAlSiN coatings is buckling spallation due to improved toughness and weakened interfacial adhesion.

TC4表面TiN/Ti涂层的热腐蚀行为研究及第一性原理计算

目的综合评估涂层性能、延长压气机叶片的使用寿命,进行TiN/Ti涂层及冲蚀后TiN/Ti涂层的热腐蚀行为机制研究。方法进行了完整TiN/Ti涂层及冲蚀后TiN/Ti涂层300℃/120h的热腐蚀实验,腐蚀介质为95%(质量分数)Na_(2)SO_(4)+5%(质量分数)NaCl。冲蚀实验采用形状不规则的SiO_(2)颗粒,冲蚀角为45°,冲蚀速度为130 m/s,供砂速率为6.4 g/min。建立了完整TiN涂层、表面具有孔洞的TiN涂层及表面具有Ti液滴的TiN涂层3种第一性原理腐蚀计算模型。结果TiN/Ti涂层热腐蚀后,液滴处发生氧化并且变得疏松;样品切割边缘产生腐蚀锈迹,最终出现鼓包和裂纹;冲蚀后,涂层表面的完整性受到破坏,相较于未冲蚀区域,冲蚀坑周围更容易出现腐蚀。在热腐蚀过程中,SO_(4)^(2-)中的O和完整TiN涂层中的Ti以及液滴中的Ti电子云团接触,存在电荷转移及成键倾向,具体为Ti失电子、O得电子,腐蚀主要发生在SO_(4)^(2-)中的O与Ti之间。结论第一性原理计算结果与热腐蚀的实验结果相一致,第一性原理计算结果可以从微观上反映液滴和孔洞等缺陷对涂层热腐蚀行为的影响,能够为分析涂层的热腐蚀机制提供理论依据。

MICROSTRUCTURAL CHARACTERISTICSAND OXIDATION BEHAVIOR OFTi_(1-x)Al_xN PVD-COATINGS

Recent research on microstructural characteristics and oxidation behavior of Ti(1-x)AlxN thin film were surveyed. The Ti(1-x)AlxN coatings have three different phase regions, Bl structure for lower x value, wurtzite structure for higher x value and unidentified structure for medium x value. Based upon the selective oxidation mechanism the oxidation results of Ti(1-x)AlxN thin film with different Ti/Al ratio were predicated.

CrN/TiAlN多层涂层的微观结构和摩擦磨损性能

特种装备车辆往往在高速、高冲击等复杂环境下运行,底盘选装密封件表面容易被磨损造成密封失效,在密封工作面制备硬质涂层是提高服役寿命、延长维修周期的重要方法。采用物理气相沉积法在45#钢表面制备单层CrN涂层和不同过渡层厚度的多层CrN/TiAlN涂层,用X射线衍射仪、扫描电子显微镜、表面轮廓仪、纳米压痕仪和往复式摩擦磨损试验机,研究涂层的微观结构、机械性能和摩擦磨损性能。结果表明单层CrN涂层厚度为0.87μm,其硬度和模量最小为19.49 GPa和160.53 GPa。CrN/TiAlN多层涂层的硬度和模量明显提高,且随过渡层厚度增加而增大,4CrN/TiAlN涂层的硬度和模量可达到39.86 GPa和386.72 GPa。在空气环境下的摩擦磨损试验中,单层CrN涂层被快速破坏;CrN/TiAlN多层涂层的平均摩擦因数随着过渡层厚度的增加先增大后减小,最大磨损深度和磨痕截面积不断下降。4CrN/TiAlN涂层具有最优摩擦磨损性能,其平均摩擦因数为0.792 5,磨痕截面积为315.09μm^(2),磨损机理为磨粒磨损和少量粘着磨损。提高过渡层厚度能够降低基体的塑性变形,降低涂层与基体的物理性能差异,减少涂层开裂并提高涂层摩擦磨损性能。通过调控过渡层厚度获得性能优异的CrN/TiAlN多层涂层,研究成果可应用于车辆旋转密封件上,显著提高密封工作面耐磨损性能。

Effect of Al and Si additions on microstructure and mechanical properties of TiN coatings

Ti-X-N (X=Al,Si or Al+Si) coatings were grown onto cemented carbide substrates by cathodic arc evaporation. The hardness of the coatings was obtained by nanoindentation and the microstructure was investigated by XRD,XPS and SEM. Solid solution hardening results in a hardness increase from 24 GPa for TiN to 31.2 GPa for TiAlN. The higher hardness values of 36.7 GPa for TiSiN and 42.4 GPa for TiAlSiN are obtained by the incorporation of Si into TiN (TiAlN) coatings due to the formation of special three-dimensional net structure consisting of nanocrystalline (nc) TiN (TiAlN) encapsulated in an amorphous (a) Si3N4 matrix phase. Furthermore,the nc-TiAlN/a-Si3N4 coating shows the best machining performance.

Effect of Rare Earth Element Cerium on Mechanical Properties and Morphology of TiN Coating Prepared by Arc Ion Plating

TiN coatings were deposited on polished substrates of W18Cr4V high speed steel by means of vacuum arc ion plating. The effect of cerium on adhesion between TiN coating and substrate was studied. The microstructures and composition of TiN coatings were also investigated by means of scanning electron microscope (SEM), Auger electron spectroscopy (AES), and X ray diffraction (XRD) technique. It was found that cerium is an effective modifying agent and the addition of suitable amount of cerium to TiN coatings can produce relatively excellent properties such as micro hardness, wear resistance, oxidation resistance and porosity. The experimental results show that the added cerium in TiN coatings makes a contribution to form the preferred direction along with a (111) or (222) close packed face, which may be one of the reasons that improves some properties mentioned above.

基于机械干态颗粒涂层技术制备cBN@TiN粉体

采用机械干态颗粒涂层技术分别制备了cBN@TiO_(2)(TiO_(2)包覆立方氮化硼)粉体和cBN@(TiO_(2)+C)(TiO_(2)+碳包覆立方氮化硼)粉体,然后在1600℃、N_(2)气氛下进行高温热处理制备cBN@TiN(TiN包覆立方氮化硼)粉体,研究了高温热处理前后粉体的物相组成与微观形貌以及高温反应机理。结果表明:机械干态颗粒涂层技术可以使纳米TiO_(2)和纳米TiO_(2)+C颗粒均匀包裹在cBN颗粒表面。在高温热处理过程中,TiO_(2)与cBN反应生成液相B_(2)O_(3),促进了cBN相变成六方氮化硼(hBN),cBN的高温稳定性差,以cBN@TiO_(2)为原料制备的cBN@TiN粉体颗粒表面形成由TiN相和hBN相组成的片状结构层;当存在碳时,TiO_(2)会优先与碳发生还原反应生成TiN,抑制B_(2)O_(3)的生成,从而降低cBN相变量,此时cBN的高温稳定性好,以cBN@(TiO_(2)+C)为原料制备的cBN@TiN粉体颗粒表面形成主要为TiN相的颗粒结构层。

表面等离子渗氮对TiAlN涂层TiCN基金属陶瓷性能的影响

针对TiCN基金属陶瓷,调节不同N_(2)/Ar流量比对其进行等离子渗氮,并在渗氮样品表面沉积TiAlN涂层。采用GIXRD、EDS、SEM、HR-TEM、划痕测试、纳米压痕测试和光学图像测试仪等研究了渗氮过程N_(2)/Ar流量比对涂层组织结构、膜基界面状态、力学性能和涂层金属陶瓷刀片切削性能的影响。结果表明,随着N_(2)/Ar流量比的提高,TiAlN涂层晶粒逐渐细化,涂层厚度不断降低,基体表面仍有黏结相残留,进而影响表面涂层的生长和性能。当N_(2)/Ar流量比为1时,膜基界面处存在硬质相生长区和富黏结相生长区两种涂层生长区域,涂层在硬质相表面为共格外延生长,富黏结相区域存在原子排列紊乱的过渡区,涂层为半共格外延生长;涂层(200)晶面取向最强,织构系数为1.91;涂层硬模比(H/E)最高,为0.094。当N_(2)/Ar流量比为2时,TiAlN涂层的硬度和弹性模量均最高,分别为34.15GPa和416.64GPa。在切削加工过程中,切削接触区域主要发生磨粒磨损和粘着磨损。当N_(2)/Ar流量比为1时,涂层TiCN基金属陶瓷刀片切削性能最佳。

Microstructure and tribocorrosion performance of nanocrystalline TiN graded coating on biomedical titanium alloy

A nanocrystalline TiN graded coating was prepared on Ti6Al4V alloy by DC reactive magnetron sputtering method. The microstructure and mechanic properties of the coating were investigated. The electrochemical corrosion and tribocorrosion of the coated specimens in physiological environment were compared with those of Ti6Al4V substrate. The results show that the gradient distribution of nanocrystalline TiN is favorable for releasing the inner stress in the coating, which increases adhesion strength to 90 N. The compact structure and refined-grains of the coating result in the surface nanohardness of 28.5 GPa. The corrosion protection efficiency of the nanocrystalline TiN coating reaches 96.6%. The tribocorrosion resistance of the coating increases by 100 times in comparison with that of Ti6Al4V substrate. The high chemical stability and H3/E2 ratio (where H is hardness, and E is elastic modulus) of the nanocrystalline TiN coating are responsible for good corrosion and wear resistances.