Optimization of Single Point Diamond Turning Processes For Single Crystal Calcium Fluoride: A Surrogate Model For Surface Roughness Prediction
Optimization of Single Point Diamond Turning Processes For Single Crystal Calcium Fluoride: A Surrogate Model For Surface Roughness Prediction
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ORIGINAL ARTICLE
Received: 15 August 2024 / Accepted: 29 November 2024 / Published online: 9 December 2024
© The Author(s), under exclusive licence to Springer-Verlag London Ltd., part of Springer Nature 2024
Abstract
Single-crystal calcium fluoride ( CaF2) is essential in high-level optical systems due to its excellent optical properties, includ-
ing high penetration, laser damage resistance, and low dispersion across ultraviolet and infrared wavelengths. However, CaF2
is soft, brittle, and its anisotropic nature makes predicting surface roughness (Ra) during lens manufacturing challenging.
Traditionally, operators rely on manual adjustments and measurements to achieve desired surface finishes, a process that
is both time-consuming and costly. This study addresses these challenges by developing a model to predict surface rough-
ness in ultra-precision machining of CaF2. The machining depth was set to 200 nm to maintain ductile cutting conditions.
A central composite design (CCD) experiment gathered data on three critical machining parameters: spindle speed, feed
rate, and tool rake angle. The surface roughness prediction models were then constructed using a synthetic artificial neural
network (S-ANN), response surface methodology (RSM), and kriging. Evaluation results showed that the S-ANN model
achieved the highest accuracy (97.4% accuracy, 0.907 nm error), outperforming the RSM (90.4% accuracy, 1.343 nm error)
and kriging (87.1% accuracy, 1.931 nm error) models. The S-ANN model’s performance is suitable for practical application,
offering an effective method to predict CaF2 Ra, significantly reducing costs associated with single-point diamond turning.
Keywords Single-crystal calcium fluoride · Single-point diamond turning · Surrogate model · Synthetic artificial neural
network · Surface roughness
Vol.:(0123456789)
776 The International Journal of Advanced Manufacturing Technology (2025) 136:775–787
Table 1 Optical, thermal, and mechanical properties of CaF2 and results obtained through testing and machining in the
Properties present study indicate that the (111) crystal plane of CaF2
is prone to exhibiting a unique surface pattern with a trefoil
Transmission range (μm) 0.12 ~ 12
shape during SPDT (Fig. 1(a)). This phenomenon is caused
Index of refraction (nd) 1.434 by changes in the cutting direction of the tool and the orien-
Abbe number (vd) 94.99 tation of the crystal during the face turning process, result-
Thermal expansion coefficient (K−1) 2 × 10−5 ing in the crystal surface exhibiting different relative slip
Thermal conductivity (W/(m. K)) 9.71 conditions. Chen et al. [12] conducted experimental analy-
Knoop hardness (kg/mm2) 158.3 ses of different slip conditions by scribing the surface of a
Young’s modules (GPa) 75.8 workpiece at 30° intervals in the (111) crystal direction by
using a diamond scribe. The depths of scratches were meas-
ured to determine the deformation behavior of the work-
to fabricate high-precision complex C aF2 lenses [5–8]. CaF2 piece surface. The results indicated that in the scratch angle
belongs to the isometric crystal system, and its laser damage from 0° to 120°, the scratch depth decreased from a high
threshold is higher along the (111) orientation than along the value (180 nm) to a low value (150 nm) and then increased
(110) and (001) orientations. Therefore, lenses fabricated again to a high value (180 nm). Thus, under the same load,
from the (111) plane of C aF2 have a longer lifespan than do a larger deformation occurred for these angles than for other
those fabricated from the (110) and (001) planes [9]. Con- angles, which made it easier to enter a brittle cutting condi-
sequently, the (111) plane of C
aF2 is often used as an optical tion at 0° to 120°. This phenomenon resulted in angularly
surface. However, the (111) surface is more anisotropic, and differentiated texture zones on the CaF2 surface; these zones
the conversion of the mechanical properties of different crys- comprised brittle and ductile cutting zones. The Ra values
tallographic orientations during the cutting process leads to of the brittle and ductile zones were approximately 200 and
machining difficulties, which results in high requirements 8 nm, respectively.
regarding surface finish quality in SPDT. Many preliminary studies have provided a general direc-
In SPDT, the ideal Ra value of a machined surface is influ- tion of development for the SPDT of CaF2 on the produc-
enced by the spindle speed, feed rate, and nose radius. The tion line. Selecting an appropriate critical depth of cut is
average Ra value is calculated using the following formula: one solution for reducing stress damage cracks in a material
subjected to SPDT. In cutting tests, especially for complex
Ra = 0.0321 × f 2 ∕R (1) surfaces, the critical depth of cut is not controllable, and the
where f is the feed per revolution, and R is the nose radius. depth of cut does not theoretically affect the ideal surface
However, the Ra value is often affected by various machining roughness. Therefore, to ensure that a cutting test is safe, the
factors, leading to inaccurate Ra predictions, especially in operator sets the depth of cut at the smallest jog distance of
the ultraprecision machining of C
aF2 through SPDT. Studies the machine. However, because the machine and workpiece
on the SPDT machining of CaF2 have indicated that changes have different shapes, the operator must subsequently deter-
in machining parameters such as spindle speed, feed rate, mine other suitable machining parameters through machin-
depth of cut, and tool rake angle can lead to brittle fracture ing experience and repeated testing. This process is tedious,
along mechanically fragile crystal orientations and consider- time-consuming, and costly. Therefore, a surface roughness
ably increase the Ra value [5–11]. Results from the literature prediction model should be developed for the SPDT of CaF2
to assist operators in selecting machining parameters rapidly.
Improving process quality and reducing production costs used to determine relationships between different machining
through predictive modeling has become a key trend in the parameters. ANNs, which learn relationships between dif-
manufacturing industry. The SPDT of CaF2 is a costly and ferent parameters by mimicking the operation of biological
time-consuming method; therefore, an appropriate model neural networks, can capture complex details and patterns
should be developed for accurately predicting the Ra val- in a manufacturing process because of their excellent non-
ues of CaF2 to enable reductions in the cost and duration of linear learning capability. Natarajan et al. [20] used an ANN
the aforementioned process. Compared with full-factorial model to predict and optimize the Ra value on the basis of
experimental design, the central composite design (CCD) the spindle speed, feed rate, and depth of cut in the turning
of experiments enables all experimental combinations to of C26000 brass. Khorasani et al. [21] developed a dynamic
be tested through fewer experiments. In CCD, the center- ANN-based Ra monitoring system for the milling of Al 7075
point and axial-point approaches are used to determine the and St 52 workpieces. Moreover, Mia et al. [22] used an
variations in experimental parameters. Response surface ANN model with RSM to predict Ra, cutting force, and feed
methodology (RSM) and kriging methods are favored in rate in the turning of Ti-6Al-4 V alloy.
the modeling process of CCD because they have relatively This paper is structured as follows. Section 1 provides the
low data requirements. RSM and kriging models are often background of this study, detailing the challenges involved
used to approximate more complex physical models. RSM in the SPDT of C aF2 and solutions for overcoming these
is a statistical method that is applied to experimental data to challenges. Section 2 describes the methodology and mod-
determine how various factors are associated with a response eling theories used in this study. Section 3 details the experi-
variable. Alauddin et al. [13] used RSM to develop a sur- mental equipment, design, and results. Section 4 presents
face roughness prediction model for steel milling, and Sahin a discussion on the results. Finally, Sect. 5 elucidates the
et al. [14] applied RSM to predict the Ra value of low-carbon conclusion and contributions of this study.
steels turned using coated carbide tools. Yang et al. [15] used
RSM to optimize the Ra value of titanium alloy subjected to 1.1 2. Research methods
turning. Amandeep et al. [16] combined RSM with CCD to
optimize the Ra value of a planar quartz substrate in a polish- Figure 2 displays a flowchart of the methodology used in
ing process. Kriging methods have also been widely applied this study. In the SPDT of CaF2, the main factor affecting
in the field of machining. Aramesh et al. [17] used a kriging the processing results is the crystal anisotropy, which results
method to predict Ra values and tool wear in the turning of in different crystal faces having different macromechanical
titanium metal matrix composites. Dang et al. [18] used a properties. This anisotropy often leads to transitions between
kriging model to study the nonlinear relationships between brittle and ductile cutting states during the cutting of C
aF2.
machining parameters and machining response characteris- An increase in the depth of cut can easily result in the brit-
tics (namely, material removal rate, Ra, and electrode wear) tle rupture of CaF2. To ensure that the ductile cutting state
in EDM (electric discharge machining). Nguyen et al. [19] is maintained, this study set the depth of cut to match the
used a kriging method to predict the Ra values of SKD61 minimum jog distance of the machine, namely 200 nm. This
and predict the machining energy, Ra, and productivity in study considered the effects of spindle speed, feed rate, and
SKD61 milling operations. tool rake angle on surface roughness in a CCD analysis.
In addition to RSM and kriging methods, which are sta- Measurement data on these factors were collected to con-
tistical methods, artificial neural networks (ANNs) can be struct RSM, kriging, and synthetic ANN (S-ANN) models
for predicting surface roughness, and the prediction perfor- number of influencing factors, and c is the number of experi-
mance of these models was compared. ments at the center point.
is usually performed using a first- or second-order model where R is the matrix of correlation functions between
Eq. (3). known points Eq. (7); r(x) is the matrix of correlation func-
tions between unknown and known points Eq. (8); Y is the
∑
k
∑
k
∑
k
∑
k
value of each known point Eq. (9); Fs is the value of the
y = a0 + ai xi + aij xi xj + aii xi 2 + ε (3)
i=1 i=1 j>i i=1 function of each known point Eq. (10), and is the Kriging
algorithm Eq. (11).
where y represents the surface roughness; a is a coefficient
to be determined by the model; x is the input influence fac- ⎡ R(x1 , x2 ) ⋯ R(x1 , xp ) ⎤
tor; k is the number of influence factors; and ε is the model R=⎢ ⋮ ⋯ ⋮ ⎥ (7)
⎢ ⎥
residual. This study conducted RSM-based modeling using ⎣ R(xp , x1 ) ⋯ R(xp , xp−1 ) ⎦
the Minitab (State College, Pennsylvania, USA) statistical
software program. [ ( ) ( ) ( )]
r(x) = R x, x1 , R x, x2 , ⋯ , R x, xp (8)
[ ( ) ( ) ( )]
1.3.2 Kriging model Y = y x1 , y x2 , ⋯ , y xp (9)
thereby improving the accuracy and generalization ability Table 2 Experimental factors and measurement indices
of the overall model. Parameters Low level Center point High level
3 Results and discussion Figures 6 and 7 display the main effects and interaction
effects acting on Ra, respectively. Because a lower Ra value
3.1 Experimental results indicates better machining quality, a “smaller-the-better”
quality characteristic was selected. The plots in the aforemen-
Table 3 presents the results of the 25 experiments con- tioned figures indicate that Ra decreased and increased with
ducted in this study. an increase in the spindle speed and feed rate, respectively.
This study used the Minitab statistical software pro- These two trends are consistent with Eq. (1). The relationship
gram for experimental design and statistical analysis. between tool rake angle and Ra was nonlinear, with Ra being
Analysis of variance (ANOVA) was conducted in this lowest at a tool rake angle of approximately − 15°. The interac-
study to determine the effect of each experimental factor tion effects on Ra were not significant at the 0.05 level.
on the response variable. The results of ANOVA for Ra are
presented in Table 4, in which MS, SS, and DoF refer to 3.2 Prediction of surface roughness
the mean square, sum of squares, and degrees of freedom,
respectively. The F and P values obtained in the ANOVA 3.2.1 Prediction of surface roughness by using an RSM
suggested that spindle speed, feed rate, and square of the model
tool rake angle had significant effects at the 0.05 level on
the Ra value of CaF2 in SPDT. An RSM model for Ra prediction was constructed using
measurement data obtained in CCD. The constructed RSM
model is expressed in Eq. (13). The contour plots obtained
with the RSM model are displayed in Fig. 8(a), (b), and (c).
Table 3 Experimental results as per DOE In this figure, bluer regions indicate lower Ra. As displayed
in Fig. 8(a), at a fixed tool rake angle of − 15°, the surface
No Machining parameters Experi-
mental
roughness decreased with an increase in spindle speed and
results a decrease in feed rate. Moreover, the lowest surface rough-
S (rpm) F (mm/min) A (°) Ra (nm) ness was observed at a tool rake angle of approximately − 15°,
which is consistent with the main effect plot.
Training data
However, on the color bar of the RSM model, it can be
1 500 1 0 10.237
observed that the dark blue color is the surface roughness close
2 1000 4 0 15.125
to 0 nm, which is below the range of machining quality accord-
3 1500 1 0 4.762
ing to the experimental machining results and the machining
4 500 7 0 20.001
experience on the machine. In Fig. 8(a) and (c), there are dark
5 1500 7 0 12.249
blue areas, which represent the poor prediction of the RSM
6 1500 4 − 15 6.025
model in the edge range.
7 1000 4 − 15 6.553
8 1000 1 − 15 3.558 Ra =14.71 − 0.01406S + 3.32F + 0.925A + 0.000004S2
9 1000 7 − 15 7.704
− 0.247F 2 + 0.02584A2 − 0.000082SF
10 1000 4 − 15 5.674
11 1000 4 − 15 8.004
− 0.000107SA − 0.0056FA
(13)
12 500 4 − 15 11.591
13 1500 1 − 30 4.962
14 500 1 − 30 9.009
3.2.2 Prediction of surface roughness by using a kriging
15 1000 4 − 30 12.204
model
16 500 7 − 30 18.001
17 1500 7 − 30 15.207
A kriging model was also developed on the basis of the CCD
Testing data
data. The contour plots obtained with this model are shown in
18 700 2 0 11.927 Fig. 9. In the kriging prediction map, it can be observed that
19 1400 2 0 9.631 there is no dark blue Ra of 0 nm in the overall coarse prediction
20 700 6 0 18.520 color range. This means that the kriging model will give more
21 1400 6 0 12.865 reasonable results in terms of edge position and prediction.
22 700 2 − 20 5.178
23 1400 2 − 20 4.469
24 700 6 − 20 11.584
25 1400 6 − 20 9.810
782 The International Journal of Advanced Manufacturing Technology (2025) 136:775–787
3.3 Model comparison
Fig. 8 Results obtained with the RSM model: a variations in feed rate with spindle speed at tool rake angle of − 15°, b variations in tool rake
angle with spindle speed at a feed rate of 4 mm/min, and c variations in tool rake angle with feed rate at a spindle speed of 1000 rpm
S-ANN model had higher accuracy, lower error, and better captured the relationships between surface roughness and
generalization ability than did the ANN model. the three considered machining parameters. Nevertheless,
the S-ANN model outperformed the RSM model in terms
1 ∑ |experimental valuei − predicted valuei |
n
MAPE = of RMSE and MAPE (Table 6). The prediction error of the
n i=1 experimental valuei RSM model might have been caused by its limited ability to
(14) predict high-dimensional nonlinear relationships.
√ Although the kriging model and S-ANN model had
√ n
√1 ∑
RMSE = √ (experimental valuei − predicted valuei )2 similar R2 values, the kriging model’s RMSE, MAPE, and
n i=1 maximum error were higher than those of the RSM and
(15) S-ANN models. Thus, the kriging model exhibited over-
2 fitting, which resulted in deviations between its predic-
In the testing stage, the RSM model had a lower R value
tions and the actual processing results in certain parameter
(94.67%) than did the kriging and S-ANN models (99.27%
ranges.
and 99.64%, respectively). However, the MAPE and RMSE
The S-ANN model performed the best, with its R2,
of the RSM model were 9.6% and 0.878 nm, respectively,
MAPE, RMSE, and maximum error being 99.64%, 2.6%,
which were lower than those of the kriging model (12.9%
0.383 nm, and 0.907 nm, respectively. These results dem-
and 1.18 nm, respectively); thus, the RSM model accurately
onstrate that the S-ANN model has excellent model fitting
784 The International Journal of Advanced Manufacturing Technology (2025) 136:775–787
Fig. 9 Results obtained with the kriging model: a variations in feed rate with spindle speed at tool rake angle of − 15°, b variations in tool rake
angle with spindle speed at a feed rate of 4 mm/min, and c variations in tool rake angle with feed rate at a spindle speed of 1000 rpm
and prediction capabilities. The S-ANN model can handle and Ra in the aforementioned process were investigated by
complex nonlinear relationships by averaging the results of conducting ANOVA on the collected data. The results of
multiple ANN models, thus outperforming the RSM and ANOVA indicated that the spindle speed, feed rate, and tool
kriging models (Table 6). rake angle significantly influenced Ra value.
The R2 values of the S-ANN, RSM, and kriging models
were 99.64%, 94.67%, and 99.27%, respectively. Moreover,
4 Conclusion the accuracies of these models on unknown data were 97.4%,
90.4%, and 87.1%, respectively, with their maximum errors
This study developed an RSM model, a kriging model, and being 0.907, 1.343, and 1.931 nm, respectively. These errors
an S-ANN model for predicting surface roughness in the are acceptable in practical SPDT.
SPDT of CaF2 lenses. First, the depth of cut was defined Although the kriging model had an extremely high R2
as being equivalent to the minimum jog distance of the value, it had the lowest accuracy and largest errors among
machine to ensure ductile cutting. Subsequently, the CCD the three adopted models; thus, the kriging model exhibited
method was used to design experimental machining param- overfitting. Among the three models, the S-ANN model had
eters for the collection of experimental data in the SPDT of the best results in terms of R2, RMSE, MAPE, and maximum
CaF2. The relationships of different machining parameters
The International Journal of Advanced Manufacturing Technology (2025) 136:775–787 785
Fig. 10 Results obtained with the S-ANN model: a variations in feed rate with spindle speed at tool rake angle of − 15°, b variations in tool rake
angle with spindle speed at a feed rate of 4 mm/min, and c variations in tool rake angle with feed rate at a spindle speed of 1000 rpm
Table 5 Comparison of single Model ANN_1 ANN_2 ANN_3 ANN_4 ANN_5 S-ANN
ANN models and ensembled
ANN model R2 99.21% 99.56% 99.30% 99.32% 99.26% 99.64%
MAPE 4.30% 4.30% 4.90% 4.20% 4.60% 2.60%
Accuracy 95.70% 95.70% 95.10% 95.80% 95.40% 97.40%
RMSE (nm) 0.539 0.471 0.536 0.534 0.507 0.383
error; thus, this model is most suitable for predicting Ra 2. The results of the ANOVA conducted in this study indi-
accurately in the SPDT of CaF2. cate that spindle speed, feed rate, and tool rake angle
The main contributions of this study are as follows: affect the surface roughness of CaF2 in the aforemen-
tioned process.
1. The number of experiments required for data collection 3. An S-ANN model, an RSM model, and a kriging model
was reduced using the CCD method, which can reduce were developed to model the relationships of spindle
the duration and cost of the SPDT process for CaF2. speed, feed rate, and tool rake angle with surface rough-
ness in the SPDT of CaF2. The R2 values of these models
786 The International Journal of Advanced Manufacturing Technology (2025) 136:775–787
Table 6 Comparison of No Experimental (nm) RSM (nm) Kriging (nm) S-ANN (nm)
experimental values and
prediction values for RSM, 18 11.927 12.365 13.310 12.046
kriging, and ANN model
19 9.631 8.288 8.802 8.724
20 18.520 17.512 18.500 18.320
21 12.865 13.205 13.400 12.368
22 5.178 5.923 6.866 5.289
23 4.469 3.344 3.677 4.505
24 11.584 11.518 10.560 11.742
25 9.810 8.709 7.879 9.712
R2 94.67% 99.27% 99.64%
MAPE 9.6% 12.9% 2.6%
Accuracy 90.4% 87.1% 97.4%
RMSE (nm) 0.878 1.18 0.383
Max. error (nm) 1.343 1.931 0.907
were 99.64%, 94.67%, and 99.27%, respectively, when 3. Technical Document of Corning Inc. Corning® Calcium fluoride
they were applied to new data, indicating their strong (CaF2) - Code 9575 (2014). [Link]
worldw ide/g lobal/d ocume nts/C
alciu m%2 0Fluo ride%2 0PI%2 0She
generalization ability. Their accuracies were 97.4%, et%20September%202014.pdf
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4. Among the aforementioned models, the S-ANN had Investigation on the ultra-precision diamond turning of ZnSe
the highest accuracy (97.40%) and lowest RMSE aspheric surfaces using straight-nosed cutting tools. Journal of
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(0.383 nm); thus, this model is most suitable for pre- jmapro.2023.09.01
dicting Ra accurately in the SPDT of CaF2. 5. Mizumoto Y, Aoyama T, Kakinuma Y (2011) Basic study on
ultraprecision machining of single-crystal calcium fluoride.
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Author contribution All the authors contributed to the study concep- 6. Chen X, Xu J, Fang H, Tian R (2017) Influence of cutting
tion and design. Material preparation, data collection, and analysis parameters on the ductile-brittle transition of single-crystal cal-
were performed by Ke-Er Tang, Yin-Chung Huang, Wei-Ting Lin, cium fluoride during ultra-precision cutting. The International
Yuan-Chieh Cheng, and Chun-Wei Liu. The first draft of the manu- Journal of Advanced Manufacturing Technology 89:219–225.
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Funding This work was supported by the Research Project of cal Manufacturing and Testing Technologies, Xiamen, China.
the National Science and Technology Council, Taiwan (NSTC [Link]
113–2221-E-007–058-MY3) and (NSTC 113–2218-E-007–024-). 8. Yan J, Tamaki J, Syoji K, Kuriyagawa T (2004) Single-point
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Competing interests The authors declare no competing interests. crystal structure and laser damage of calcium flouride, Proc.
SPIE 7842, Laser-Induced Damage in Optical Materials: 2010.
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