Abstract
The high temperature fire retardancy of titanium alloy is an important factor restricting its application in aero-engine, and the laser ignition method can accurately reflect the fire retardancy of titanium alloy under local heating. Due to the limitations of laser ignition experiments on the microscopic boundary and the transient propagation mechanism of the temperature field, molecular dynamics (MD) simulations and JMatPro calculation were applied to study the temperature field of Ti-6Al and Ti-48Al alloys. The results show that a molten pool is formed on the surface of Ti-Al alloys under continuous laser irradiation, and the temperature field of the molten pool is normally distributed from the center to the edge. When the center temperature reaches the critical point of ignition, the extended combustion occurs, and the extended combustion path advances along the direction of the air flow. Compared with Ti-6Al alloy, Ti-48Al alloy has higher fire retardancy under laser ablation. This is due to the better heat transfer performance of Ti-48Al, which leads to the weakening of the heat concentration effect near the boundary of the spot temperature field. So it is necessary to increase the partial pressure of oxygen, and thus to reduce the ignition point of the alloy in order to achieve the ignition boundary condition of Ti-48Al alloy under the same laser heat source. In the aspect of extended combustion path, the boundary heat collection effect of specimens shown by MD models reveals another mechanism affecting combustion expansion path besides the direction of air flow. That is, the heat generated by the laser spot is interrupted when it is transmitted to the boundary of the specimen along the short side direction, resulting in a concentration of heat near the boundary. So the combustion path also tends to expand along this direction.
With the continuous progress of titanium (Ti) alloy materials, the utilization quantity of titanium alloy in aero-engine is also increased. Among them, Ti-Al alloys occupy a considerable proportion. Ti-Al alloy can maintain high specific strength and excellent creep resistance in high temperature service conditions, so it has become a potential high-temperature material. Ti alloy can be used for key component
In the process of application, the blades at all levels are the parts under the most severe working condition and the most complex load in the aero-engine. They are subjected to harsh conditions of high temperature and pressure. Therefore, the anti-oxidation and fire proof properties of Ti-Al alloys under simulated high temperature environment have become the research focus in the Ti alloy field. It is revealed that an Al content of 6% is insufficient to form a continuous protective Al2O3 layer at the interface of the melting zone and heat affected zon
For the study of fire retardancy of titanium alloys, especially Ti-Al series, an effective method for the study of combustion properties of titanium alloys is indispensable. Based on the friction ignition theory, the friction-oxygen concentration ignition experiment is usually carried out with paired rotor and stator. It can effectively characterize the fire proof properties of TC11, TB12, TA15 and other Ti alloy
In addition to the traditional experimental testing and characterization methods, the simulation method based on numerical calculation also plays an important role in the study of laser ablation of metal surfaces. Finite element analysis (FEA) can realize the dynamic analysis of heat transfer and liquid phase fluid coupling during ablation of Ti-6Al-4V allo
At present, the comprehensive study of laser ignition method and characteristics of Ti-Al alloy is still in the early stage, and the research mainly focuses on the analysis of ignition resistance. However, the temperature field evolution and microscopic mechanism of laser ignition are still unclear. For the continuous laser ignition time within 5‒10 s, particularly the time difference of picosecond-level is enough to cause structural changes on the metal surfac
In order to overcome the limitations of single macroscopic experiment or microscopic simulation in the study of laser ignition characteristics of Ti-Al alloy, and to clarify the mechanism of ignition and combustion expansion, this study adopted a combination approach of these two methods. Ti-6Al and Ti-48Al binary alloys were both taken as the research object. The microscopic mechanism affecting the boundary conditions and extended combustion path of Ti-6Al and Ti-48Al alloys was further revealed. Meanwhile, the influence of Al content on the heat transfer and initiation characteristics of Ti-Al alloys was further clarified. The data of this study will provide reference for composition optimization, fire proof improvement, mechanism analysis and extended combustion path prediction of Ti-Al alloys.
In order to obtain the typical characteristics of burning Ti-6Al and Ti-48Al alloys, the temperature field of laser ignitions was investigated. As shown in

Fig.1 Ti alloy laser ignition experimental device
The alloy samples of Ti-6Al and Ti-48Al were flake structure with smooth surface. There was no coating on the surface and the microstructure was uniform. The sample was in the shape of cylinder with 26 mm in diameter. The upper surface area for this cylinder sample was about 530.7 m
With the continuous optimization of computational efficiency and interatomic motion control algorithm, the computational scale of MD simulation has been effectively improve
(1) |
where Etot is potential energy; Fi is embedding energy; ϕi is electron density of atom i; φij(rij) is electrostatic interaction potential between atoms i and j; rij refers to position of atom i and j.
In terms of the geometry of Ti-6Al and Ti-48Al alloy models, a cubic structure with a size of 70 nm×30 nm×2 nm was adopted. Body-centered cubic (bcc) crystals with an initial lattice constant of 0.330 65 nm was set in models. As for the alloying models, the “type/ratio” algorithm in LAMMPS program was performed. As shown in
(2) |
(3) |
As shown in

Fig.2 Initial models of Ti-6Al (a) and Ti-48Al (b) alloys
The thermodynamic properties of Ti alloys are important physical parameters that affect the burning effect and ignition characteristics. The thermal conductivity and heat capacity of Ti-6Al, Ti-25Al and Ti-48Al binary alloys, whose composition is shown in
Alloy | Ti | Al |
---|---|---|
Ti-6Al | 94.0 | 6.0 |
Ti-25Al | 84.18 | 15.82 |
Ti-48Al | 65.78 | 34.22 |
The phase composition of Ti-48Al is directly affected by the increase in the proportion of Al element. Compared with Ti-6Al alloy, with the increase in Al content, the alloy microstructure is transformed from α-Ti to Ti3Al phase, and the thermal conductivity is changed. The thermal conductivity of the alloy directly affects the temperature field under laser ablation, and indirectly determines the ignition characteristics of the alloy. In order to compare and to analyze the temperature field characteristics of Ti-6Al and Ti-48Al alloys during ablation and extended combustion, the ignition characteristics of these two binary alloys were tested under continuous laser irradiation.
Alloy | CO/% | Burnt area/m | Result |
---|---|---|---|
Ti-6Al | 30 | 9.6 | Ignited |
40 | 145.4 | Ignited | |
Ti-48Al | 70 | 0 | Un-ignited |
78 | 202.7 | Ignited |

Fig.3 Ti-6Al (a‒b) and Ti-48Al (c‒d) alloys laser ablated at 275 W for 5 s under different oxygen partial pressure: (a) CO=40%, (b) CO=30%, (c) CO=78%, and (d) CO=70%
Since a large number of sparks during intense combustion of Ti alloys are not conducive to the acquisition of optical images, the temperature field based on infrared thermal signals can characterize the complete ablation and combustion process. As shown in

Fig.4 Extended combustion process of Ti-6Al and Ti-48Al alloys
0.5 s. It is shown that the molten pool is not ignited or expanded. When the CO further increases to 78%, the Ti-48Al alloy is ignited, which produces a large number of high temperature droplets along the airflow direction, and the combustion expands along the flow direction.
The temperature field characteristics of Ti-6Al alloy in the extended combustion stage after laser ignition are shown in

Fig.5 Temperature field distribution (a) and temperature graph (b) of Ti-6Al alloy with CO=40%
The temperature at the boundary of the burning surface is 1500‒1600 °C, and the isotherm is evenly distributed. The temperature change rate from the center of the burning surface to the unburning area is basically the same, and the critical limit of the temperature increase is not shown. The temperature field of Ti-48Al alloy is shown in

Fig.6 Temperature field distribution (a) and temperature graph (b) of Ti-48Al alloy with CO=78%
The temperature field evolution of Ti-6Al and Ti-48Al alloys during laser ablation and extended combustion process shows two main characteristics. (1) In terms of the expansion path after laser ignition, the disc sample generally expands in the sector region, rather than completely along the droplet movement direction. (2) In terms of combustion sensitivity, Ti-6Al alloy is significantly higher than Ti-48Al alloy. In other words, the content of Al element has a great influence on the ignition characteristics of the Ti-Al binary alloy. These two characteristics are closely related to the thermal conductivity of Ti-6Al and Ti-48Al alloys. In order to further reveal the microscopic mechanism, MD simulation models of Ti-6Al and Ti-48Al alloys are established from the perspective of heat transfer and temperature field analysis.
Taking the Ti-6Al alloy model as an example, the evolution process of temperature field during ablation in 0‒500 ps continuous laser irradiation is shown in

Fig.7 Temperature field changes of Ti-6Al alloy in continuous laser heating process at different moments

Fig.8 Phases of Ti-6Al (a) and Ti-48Al (b) alloys at 500 ps
This result shows that the morphology of laser ignition sample has great influence on its heat transfer distribution. When the heat is transferred to the boundary near the spot, the heat conduction is blocked, resulting in the heat concentration, the temperature increase rate is accelerated, and the expansion of the combustion path is more inclined to this direction. In the sample shown in
In terms of the effect of Al content on the heat transfer performance of the alloy, the analysis method of spot boundary temperature gradient contrast can be applied.

Fig.9 Horizontal temperature field distributions of Ti-6Al (a) and Ti-48Al (b) alloys
The temperature field gradient of Ti-6Al near the spot boundary is ‒88 K/nm, while that of Ti-48Al is ‒110 K/nm, which is attributed to the higher thermal conductivity of Ti-48Al, so the heat at the spot boundary can be conducted more effectively to the non-ablative surface, thereby reducing the spot boundary temperature.

Fig.10 Radial temperature field distribution of Ti-6Al and Ti-48Al alloy near laser ablation boundary
In the calculation of Ti-Al alloy properties, the prediction model based on JMatPro shows good applicabilit
According to MatWeb data, the thermal conductivity of Ti is 17 W/(m·K

Fig.11 Thermal conductivity (a) and heat capacity (b) of Ti-6Al, Ti-25Al and Ti-48Al alloys
JMatPro calculation results indicate that the difference in thermal conductivity of Ti-6Al, Ti-25Al and Ti-48Al alloys at 600 °C is greater than that in state parameter at 1800 °C. In other words, the difference of thermal conductivity under different Ti/Al ratios decreases with the increase in temperature. Therefore, in the laser ablation ignition experiment, although the laser ablation ignition performance of Ti-48Al alloy is much different from that of Ti-6Al alloy, the temperature field difference in the extended combustion stage is larger due to the increase in oxygen partial pressure caused by the increase in CO. Then, the burning intensity and persistence of Ti-48Al alloy are largely increased.
1) In the process of continuous laser ablation, Ti-6Al and Ti-48Al alloys firstly form a molten pool within the spot range. The center temperature of the molten pool is above 1600 °C, the edge temperature is slightly lower, and the overall distribution meets normal distribution. The heat at the edge of the molten pool diverges to all sides, forming a liquid phase region with a range larger than the light spot. Compared with Ti-6Al, the combustion sensitivity of Ti-48Al alloy is lower, and the critical ignition CO of Ti-48Al alloy is 70%‒78% under the laser ablation at 275 W for 5 s, which is much higher than the critical ignition CO of Ti-6Al alloy.
2) The geometric morphology of the sample is an important factor affecting the combustion expansion path, because the heat will be concentrated near the boundary of the light spot. As a result, the temperature increase rate is accelerated, the atomic thermal motion is intensified, and thus the titanium alloy surface along the path is more easily ignited. Therefore, Ti-6Al and Ti-48Al alloys are burned in the fan direction after laser ablation.
3) The influence of Al ratio on the ignition characteristics of Ti-Al binary alloy is partly due to the change of thermal conductivity of the alloy. When the proportion of Al element in Ti-Al binary alloy is increased, the thermal conductivity of the alloy is improved, and the heat concentration effect at the spot boundary in continuous laser irradiation is weakened, which is helpful to improve the critical condition of ignition of Ti-Al binary alloy. Compared with Ti-6Al alloy, the critical ignition CO of Ti-48Al is higher under the same heat source.
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