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1.
An experimental investigation was undertaken to measure the intrinsic elastic properties of several of the microstructural components of human vertebral trabecular bone and tibial cortical bone by the nanoindentation method. Specimens from two thoracic vertebrae (T-12) and two tibiae were obtained from frozen, unembalmed human male cadavers aged 57 and 61 years. After drying and mounting in epoxy resin nanoindentation tests were conducted to measure Young's modulus and the hardness of individual trabeculae in the vertebrae and single osteons, and interstitial lamellae in the tibiae. Measurements on the vertebral trabeculae were made in the transverse direction, and the average Young's modulus was found to be 13.5 +/- 2.0 GPa. The tibial specimens were tested in the longitudinal direction, yielding moduli of 22.5 +/- 1.3 GPa for the osteons and 25.8 +/- 0.7 GPa for the interstitial lamellae. Analysis of variance showed that the differences in the measured moduli are statistically significant. Hardness differences among the various microstructural components were also observed.  相似文献   

2.
The relationship of cortical bone mineral density (BMD), and geometry to bone strength has been well documented. In this study, we used peripheral quantitative computerized tomography (pQCT) to acquire trabecular BMD and high-resolution images of trabeculae from specimens to determine their relationship with biomechanical properties. Fifty-eight human cubic trabecular bone specimens, including 26 from the vertebral bodies, were scanned in water and air. Trabecular structure was quantitated using software developed with Advanced Visual Systems interfaced on a Sun/Sparc Workstation. BMD was also obtained using a whole-body computerized tomography scanner (QCT). Nondestructive testing of the specimens was performed to assess their elastic modulus. QCT and pQCT measurements of BMD of specimens in water were strongly correlated (r2 = 0.95, p < 0.0001), with a slope (0.96) statistically not significantly different from 1. Strong correlations were found between pQCT measurements of specimens in water and in air, for BMD (r2 = 0.96, p < 0.0001), and for apparent trabecular structural parameters (r2 = 0.89-0.93, p < 0.0001). Correlations were moderate between BMD and apparent trabecular structural parameters (r2 = 0.37-0.64, p < 0.0001). Precision as coefficient of variation (CV) and standardized coefficient of variation (SCV) for these measurements was < 5%. For the vertebral specimens, the correlation was higher between elastic modulus and BMD (r2 = 0.76,p < 0.0001) than between elastic modulus and apparent trabecular structural parameters (r2 = 0.58-0.72, p < 0.0001), while the addition of apparent trabecular nodes and branches to BMD in a multivariate regression model significantly increased the correlation with the elastic modulus (r2 = 0.86, p < 0.01). Thus, pQCT can comparably and reproducibly measure trabecular bone mineral in water or air, and trabecular structure can be quantitated from pQCT images. The combination of volumetric BMD with trabecular structural parameters rather than either alone improves the prediction of biomechanical properties. Such a noninvasive approach may be useful for the preclinical study of osteoporosis.  相似文献   

3.
Young's modulus and shear modulus are determined for cortical bone from mammals and birds and for antler bone, using three-point bending at a range of span-to-depth ratios between 25 and 10. Young's modulus is obtained by extrapolating the values for the flexural modulus Eapp to infinite span-to-depth ratios. The shear modulus is obtained from the dependance of Eapp on this ratio. The main determinant for the mechanical properties is the mineral content. For mammalian bone the frequency of Haversian systems correlates negatively with stiffness and resistance to shear. However, because Haversian systems have a lower mineral content than laminar bone (the main component), material and structural determinants can not be separated at present. The ratio of Young's modulus to shear modulus is of the order of 20:1. This high value is discussed in terms of the Cook-Gordon theory of controlled crack propagation as well as in its significance for protecting hollow bones from failing upon local impact.  相似文献   

4.
Cancellous bone apparent stiffness and strength are dependent upon material properties at the tissue level and trabecular architecture. Microstructurally accurate, large-scale finite element (LS-FE) models were used to predict the experimental apparent stiffness of human vertebral cancellous bone and to estimate the trabecular hard tissue stiffness. Twenty-eight LS-FE models of cylindrical human vertebral cancellous bone specimens (8 mm in diameter, 9.5 mm in height, one each from twenty-eight individuals) were generated directly from microcomputed tomography images and solved by a special purpose iterative finite element program. The experimental apparent stiffness and strength of the specimens were determined by mechanical testing to failure in the infero superior direction. Morphometric measurements including bone volume fraction (BV/TV), three eigenvalues of the fabric tensor and average P(L) were also calculated. The finite element estimate of apparent stiffness explained much of the variance in both experimental apparent stiffness (r2=0.89) and experimental apparent strength (r2=0.87). Stepwise linear regression analysis demonstrated that the LS-FE estimated apparent stiffness was the only significant predictor of experimental apparent stiffness and strength when it was included with all measured morphometric values. Hard tissue stiffness was quite variable between individuals (mean, 5.7 GPa; S.D. 1.6 GPa), but was not significantly related to age, sex, race, weight or morphometric measures for this sample.  相似文献   

5.
The mechanical properties of cancellous bone depend on the bone structure. The present study examined the extent to which the apparent stiffness of the cancellous bone of the human mandibular condyle can be predicted from its structure. Two models were compared. The first, a structure model, used structural parameters such as bone volume fraction and anisotropy to estimate the apparent stiffness. The second was a finite element model (FEM) of the cancellous bone. The bone structure was characterized by micro-computed tomography. The calculated stiffnesses of 24 bone samples were compared with measured stiffnesses. Both models could predict 89% of the variation in the measured stiffnesses. From the stiffness approximated by FEM in combination with the measured stiffness, the stiffness of the bone tissue was estimated to be 11.1 +/- 3.2 GPa. It was concluded that both models could predict the stiffness of cancellous bone with adequate accuracy.  相似文献   

6.
Fascicle length, pennation angle, and tendon elongation of the human tibialis anterior were measured in vivo by ultrasonography. Subjects (n = 9) were requested to develop isometric dorsiflexion torque gradually up to maximal at the ankle joint angle of 20 degrees plantarflexion from the anatomic position. Fascicle length shortened from 90 +/- 7 to 76 +/- 7 (SE) mm, pennation angle increased from 10 +/- 1 to 12 +/- 1 degrees, and tendon elongation increased up to 15 +/- 2 mm with graded force development up to maximum. The tendon stiffness increased with increasing tendon force from 10 N/mm at 0-20 N to 32 N/mm at 240-260 N. Young's modulus increased from 157 MPa at 0-20 N to 530 MPa at 240-260 N. It can be concluded that, in isometric contractions of a human muscle, mechanical work, some of which is absorbed by the tendinous tissue, is generated by the shortening of muscle fibers and that ultrasonography can be used to determine the stiffness and Young's modulus for human tendons.  相似文献   

7.
An animal model (the ewe) was used to study mechanical parameters of cancellous bone specimens. Compression and shear tests were conducted on ewe vertebral trabecular bone (L1-L5) from old ewes (mean age: 9 years) under two different conditions: first, at room temperature in air ("standard" test conditions); and secondly, in a physiological saline bath regulated at 37 degrees C. The parameters obtained under "standard" test conditions with a uniaxial compression test were the mean value of the maximum strength (sigma max = 22.3 (7.06) MPa), Young's modulus (E = 1510 (784) MPa), the strain at maximum strength (epsilon sigma max = 3.21 (0.8) percent) and the energy absorbed during the test (W = 0.3 (0.12) MJ.m-3). No significant change was found when the test was carried out in a saline bath at 37 degrees C (p < 0.0005). An original shear test was performed to evaluate the shear strength which was found to vary from 7.5 (4.7) to 14.6 (8.53) MPa under "standard" test conditions depending on the method of calculation. Testing of the specimens in a 37 degrees C physiological saline bath induced a decrease in the shear strength from 32.5 percent (p < 0.0005) to 37.3 percent (p < 0.0001) of those measured under "standard" test conditions. The non-destructive measurement of the Bone Mineral Density (BMD) accounted for up to 73.3 percent of the maximum compressive strength sigma max and 61.5 percent of the maximum shear strength tau max determined in saline solution at 37 degrees C. These results showed that other parameters influencing the mechanical properties of trabecular bone and its structure appeared to be essential.  相似文献   

8.
We combined three techniques--mechanical testing, three-dimensional imaging, and finite-element modeling--to distinguish between the contributions of architecture and tissue modulus to mechanical function in human trabecular bone. The objectives of this study were 2-fold. The first was to assess the accuracy of micromechanical modeling of trabecular bone using high-contrast x-ray images of the trabecular architecture. The second was to combine finite-element calculations with mechanical testing to infer an average tissue modulus for the specimen. Specimens from five human L1 vertebrae were mechanically tested along the three anatomic axes. The specimens were then imaged by synchrotron x-ray tomography, and the elastic moduli of each specimen were calculated from the tomographic image by finite-element modeling. We found that 23-microm tomographic images resolved sufficient structural detail such that the calculated anisotropy in the elastic modulus was within the uncertainties of the experimental measurements in all cases. The tissue modulus of each specimen was then estimated by comparing the calculated mean stiffness of the specimen, averaged over the three anatomical directions, with the experimental measurement. The absolute values of the experimental elastic constants could be fitted, again within the uncertainties of the experimental measurements, by a single tissue modulus of 6.6 GPa, which was the average tissue modulus of the five specimens. These observations suggest that a combination of mechanical testing, three-dimensional imaging, and finite-element modeling might enable the physiological variations in tissue moduli to be determined as a function of age and gender.  相似文献   

9.
In the present study, we tested the hypothesis that tension and bending, rather than compression alone, determine the functional adaptation of subchondral bone in incongruous joints. We investigated whether tensile stresses in the subchondral bone of the humero-ulnar articulation are affected by the direction of muscle and joint forces, and whether the tensile stresses are large enough to cause microstructural adaptation, specifically a preferential alignment of the trabeculae and the subchondral collagen fibres. Using a previously validated finite element model of the human humero-ulnar joint, we calculated the contact pressure, the principal compressive and tensile stresses, and the strain energy density in the subchondral bone for various flexion angles. A bicentric (ventro-dorsal) pressure distribution was found in the joint at 30 degrees to 120 degrees of flexion, with contact pressures of up to between 2.5 and 3 MPa in the ventral and dorsal aspects of the ulnar joint surface, but less than 0.5 MPa in the centre. The principal tensile stress in the subchondral bone of the trochlear notch quantitatively exceeded the principal compressive stress at low flexion angles (maximum 8.2 MPa), and the distribution of subchondral strain energy density differed substantially from that of the contact stress (r=-0.72 at 30 degrees and r=+0.58 at 90 degrees of flexion). No important tensile stress was computed in the trochlea humeri. On contact radiography, we found sagittally orientated subarticular trabeculae in the notch, running tangential to the surface. Furthermore, we observed sagittally orientated split lines in the subchondral bone of the notch of 20 cadaver joints, suggesting a ventro-dorsal orientation of the collagen fibres. The trochlea humeri, on the other hand, did not show a preferential direction of the subchondral split lines, these findings confirming the predictions of tensile stresses in the model. We conclude that, due to the important contribution of tension to subchondral bone stress, the distribution of subchondral density cannot be directly employed for assessing the long term distribution of joint pressure at the cartilage surface. The magnitude of the tensional stress varies considerably with the direction of the muscle and joint forces, and it appears large enough to cause functional adaptation of the subchondral bone on a microstructural level.  相似文献   

10.
If bone adapts to maintain constant strains and if on-axis yield strains in trabecular bone are independent of apparent density, adaptive remodeling in trabecular bone should maintain a constant safety factor (yield strain/functional strain) during habitual loading. To test the hypothesis that yield strains are indeed independent of density, compressive (n = 22) and tensile (n = 22) yield strains were measured without end-artifacts for low density (0.18 +/- 0.04 g cm(-3)) human vertebral trabecular bone specimens. Loads were applied in the superior-inferior direction along the principal trabecular orientation. These 'on-axis' yield strains were compared to those measured previously for high-density (0.51 +/- 0.06 g cm(-3)) bovine tibial trabecular bone (n = 44). Mean (+/- S.D.) yield strains for the human bone were 0.78 +/- 0.04% in tension and 0.84 +/- 0.06% in compression; corresponding values for the bovine bone were 0.78 +/- 0.04 and 1.09 +/- 0.12%, respectively. Tensile yield strains were independent of the apparent density across the entire density range (human p = 0.40, bovine p = 0.64, pooled p = 0.97). By contrast, compressive yield strains were linearly correlated with apparent density for the human bone (p < 0.001) and the pooled data (p < 0.001), and a suggestive trend existed for the bovine data (p = 0.06). These results refute the hypothesis that on-axis yield strains for trabecular bone are independent of density for compressive loading, although values may appear constant over a narrow density range. On-axis tensile yield strains appear to be independent of both apparent density and anatomic site.  相似文献   

11.
The measurement of bone microstructure as well as bone mineral density may improve the estimation of bone strength. Cubic specimens (N = 26, 12 mm X 12 mm X 12 mm) of human cadaver vertebrae were cut along three orthogonal anatomic orientations, i.e., superior-inferior (SI), medial-lateral (ML), and anterior-posterior (AP). Contact radiographs of the bone cubes along all three orientations were obtained and then digitized by a laser scanner with pixel size of 50 microns x 50 microns. The specimens were tested in compression along the 3 orthogonal orientations and the Young's modulus (YM) was calculated for each direction. Quantitative computed tomography (QCT) was used to obtain a measure of trabecular bone mineral density (BMD). Global gray level thresholding and local thresholding algorithms were used to extract the trabecular bone network. Apparent trabecular bone fraction (ABV/TV), mean intercept length (I.TH), mean intercept separation (I.SP), and number of nodes (N.ND) were measured from the extracted trabecular network. Fractal dimension (Fr.D) of the trabecular bone texture was also measured. Paired t-tests showed that the mean values of each texture parameter (except ABV/TV) and of YM along the SI direction were significantly different (p < 0.05) from those along the ML and AP direction. However, the mean values along the ML and AP directions were not significantly different. Multivariate regression of YM as a function of the texture parameters and BMD showed that without adjusting for the effect of BMD, YM was significantly explained by all the texture parameters (R2 = 0.2-0.6). When BMD was included in the regression, although the variations in YM of ML, AP, and SI orientations could be explained by BMD alone, some of the texture parameters did improve the overall prediction of the biomechanical properties, while, some parameters such as ABV/TV and Fr.D in the ML orientation showed a more significant overall effect in explaining mechanical strength than did BMD. In conclusion, trabecular texture parameters correlated significantly with BMD and YM. Trabecular texture parameters from projectional radiographs reflect the anisotropy of trabecular structure. Quantitative radiographic assessment of trabecular structure using fine-detail radiography can potentially improve the estimation of bone strength.  相似文献   

12.
PURPOSE: Abdominal aortic aneurysms (AAAs) rupture when the wall stress exceeds the strength of the vascular tissue. Intraluminal thrombus may absorb tension and reduce AAA wall stress. This study was performed to test the hypothesis that intraluminal thrombus can significantly reduce AAA wall stress. METHODS: AAA wall stresses were determined by axisymmetric finite element analysis. Model AAAs had external diameters ranging from 2.0 to 4.0 cm. Model parameters included: AAA length, 6 cm; wall thickness, 1.5 mm; Poisson's ratio, 0.49; Young's modulus, 1.0 MPa; and luminal pressure, 1.6 x 10(5) dyne/cm2. Stresses were calculated for each model without thrombus, and then were recalculated with thrombus filling 10% of the AAA cavity. Calculations were repeated as thrombus size was increased in 10% increments and as thrombus elastic modulus increased from 0.01 MPa to 1.0 MPa. Maximum wall stresses were compared between models that had intraluminal thrombus and the unmodified models. Stress reduction greater than 25% was considered significant. RESULTS: The maximum stress reduction of 51% occurred when thrombus with elastic modulus of 1.0 MPa filled the entire AAA cavity. Stresses were reduced by only 25% as modulus decreased to 0.2 MPa. Similarly, decreasing thrombus size by 70% resulted in stress reduction of only 28%. Large AAAs experienced greater stress reduction than small AAAs (48% vs 11%). CONCLUSION: Intraluminal thrombus can significantly reduce AAA wall stress.  相似文献   

13.
The purpose of this study was to assess cortical and cancellous bone responses to unilateral limb immobilization and, subsequently, to remobilization with exercise, in a young adult canine model. Right forelimbs of 14 1-2-year old mongrel dogs were immobilized in a non-weight-bearing position by a bandage for 16 weeks. Six control dogs were untreated. At 16 weeks, seven immobilized and three control dogs were euthanized. The remaining seven immobilized dogs began a recovery protocol consisting of 16 weeks of kennel confinement (without the right forelimb bandaged) followed by 16 weeks of treadmill exercise conducted three times per week. These seven dogs and three control dogs were euthanized at 48 weeks. Bone mineral density of the proximal radii was determined with dual-energy X-ray absorptiometry and humeral middiaphyseal cross-sectional areas were determined with computed tomography. Humeri were tested in cranio-caudal three-point bending to failure. Cancellous bone cores from the lateral humeral condyles had wet apparent density determined and were tested to failure in compression. Mechanical properties, bone density, and cross-sectional areas were compared between immobilized (right forelimb), contralateral weight bearing (left forelimb), and control forelimbs with Kruskal-Wallis and post hoc tests. At 16 weeks, bone mineral density, cortical load, yield, and stiffness as well as cancellous bone failure stress, yield stress, and modulus were significantly lower (p < 0.02) for immobilized limbs than control limbs. Immobilized limb cancellous bone mechanical properties were 28%-74% of control values, and cortical bone mechanical properties were 71%-98% of control values. After 32 weeks of remobilization, cortical and cancellous bone mechanical properties were not different from control values except that cortical bone failure stress and modulus were significantly higher (p < 0.01) between remobilized and control limbs. In summary, 16 weeks of forelimb immobilization was associated with significantly lower mechanical properties, and with greater differences in cancellous than cortical bone properties. Mechanical properties were not different from control values after 32 weeks of recovery that included 16 weeks of treadmill exercise.  相似文献   

14.
The effect of extrusion-induced particle-orientation anisotropy on the mechanical behavior of metal-matrix composites (MMCs) was examined. In this study, we have shown that this anisotropy has a significant influence on the tensile and fatigue behavior SiC particle-reinforced Al alloy composites. The preferred orientation of SiC particles was observed parallel to the extrusion axis, with the extent of orientation being highest for the lowest-volume-fraction composites. The composites exhibited higher Young’s modulus and tensile strength along the longitudinal direction (parallel to the extrusion axis) than in the transverse direction. The extent of anisotropic behavior increased with increasing volume fraction, because of the increasing influence of the SiC reinforcement on the Young’s modulus and tensile properties. The preferred orientation also resulted in anisotropy in the fatigue behavior of the composite material. The trends mirrored those observed in tension, with higher overall fatigue strengths for both orientations and a higher anisotropy with increasing volume fraction of particles. The influence of particle-orientation anisotropy and the resulting tensile and fatigue damage mechanisms is discussed.  相似文献   

15.
BACKGROUND: Small increases in bone mass are commonly seen with existing treatments for osteoporosis, which reduce bone remodelling and primarily prevent bone loss. Since these drugs reduce but do not eliminate risk of fractures, an anabolic agent that would increase bone mass and potentially cure the underlying skeletal problem is needed. METHODS: We did a 3-year randomised controlled trial to find out the effects of 1-34 human parathyroid hormone (hPTH [1-34], 400 U/25 micrograms daily subcutaneously) in postmenopausal women with osteoporosis taking hormone-replacement therapy (n = 17). The controls were women taking hormone-replacement therapy only (n = 17). The primary outcome was bone-mineral density of the lumbar vertebrae, with bone-mineral density at other sites and vertebral fractures as secondary endpoints. FINDINGS: Patients taking hormone-replacement therapy and PTH (1-34) had continuous increase in vertebral bone-mineral density during the 3 years, whereas there was no significant change in the control group. The total increase in vertebral bone-mineral density was 13.0% (p < 0.001); 2.7% at the hip (p = 0.05); and 8.0% in total-body bone mineral (p = 0.002). No loss of bone mass was found at any skeletal site. Increased bone mass was associated with a reduction in the rate of vertebral fractures, which was significant when fractures were taken as a 15% reduction in vertebral height (p = 0.04). During the first 6 months of treatment, serum osteocalcin concentration, which reflects bone formation, increased by more than 55%, whereas excretion of crosslinked n-telopeptide, which reflects bone resorption, increased by only 20%, which suggests some uncoupling of bone formation and resorption. By 6 months, there were similar increases in both markers, which gradually returned towards baseline as the study progressed. Vertebral bone-mineral density increased most during the first year of PTH treatment. INTERPRETATION: We found that PTH has a pronouned anabolic effect on the central skeleton in patients on hormone-replacement therapy. PTH also increases total-body bone mineral, with no detrimental effects at any skeletal site. The increased vertebral mass was associated with a reduced rate of vertebral fracture, despite increased bone turnover. Bone-mass changes may be consistent with a reduction in all osteoporotic fractures. If confirmed in larger studies, these data have important implications for the treatment of postmenopausal osteoporosis.  相似文献   

16.
以石英为先驱体,以液态铝为还原剂,在1073~1523 K的温度范围内对原位生成铝/氧化铝复合材料进行了研究,对获得的复合材料的物理和机械性能做了测定,并对材料显微结构进行了观测和分析.在1473K制备的铝/氧化铝复合材料密度为2.95g/cm3,最大弹性模量为130 GPa,最大三点抗弯强度为580 MPa,最大拉伸强度为268 MPa,洛氏硬度为86.产物铝/氧化铝复合材料的形状与作为先驱体的二氧化硅的形状几乎一致.讨论了反应过程的动力学.  相似文献   

17.
考察在过冷液相区内790K+30min保温后炉冷和液氮冷却对Cu50Zr42Al8压缩断裂行为的影响。5mm铸态非晶复合棒的屈服强度、断裂强度和杨氏模量分别为1670MPa,1849MPa和104.4GPa,塑性应变为1.9%。经炉冷和液氮冷却试样的压缩断裂强度和杨氏模量下降,分别为912,678MPa和38,56.5GPa。液氮冷却试样为部分非晶结构,炉冷试样完全晶化。晶化相均为正交晶相Cu10Zr7,四角晶相CuZr2和DO3结构的AlCu2Zr三种脆化相。  相似文献   

18.
It has been reported that the mineral crystals in long bones have their c-axis aligned with the bone axis, presumably because collagen fibrils in bone also align with the bone axis. However, the predominant collagen orientation in bone often does not appear to be aligned with the mineral crystals, especially in rat primary bone. We hypothesized that mineral orientation in bone is not necessarily related to collagen orientation. An acoustic microscope was used to measure elastic constants of mineralized tissues from rat, cow, monkey, and human bone, and mineralized turkey leg tendon (MTLT). Measurements were made before and after demineralization with 10% ethylenediaminetetraacetic acid (EDTA) or decollagenization with 7% sodium hypochlorite. The elastic anisotropy ratio (AR) was defined as the ratio of the elastic coefficient in the longitudinal direction to the elastic coefficient in the transverse direction. Anisotropy ratios of mineralized tissues were not affected by formalin fixation or plastic embedding. An evaluation of tissues from the different species showed that the AR after decollagenization was not significantly different (p > 0.4, analysis of variance) among the groups, while AR after demineralization varied from 1.04 (rat bone) to 1.51 (MTLT). There was no correlation between AR after demineralization and AR after decollagenization (r = 0.13, p = 0.5). This showed that the elastic anisotropy of collagen is more variable than mineral anisotropy in bone and MTLT. Another experiment showed that mineralization of turkey leg tendon changes the elasticity of the collagen matrix, making it less anisotropic. A final, prospective experiment was performed in which tibiae of rats were subjected to mechanical loading for 16 weeks. After 12 days, new periosteal woven bone was observed on the tibiae and, after 16 weeks, this new bone was consolidated and mineralized. Mineral in the newly formed woven bone was virtually isotropic (AR = 1.07) after 12 days of loading, then became more anisotropic (AR = 1.52) after 16 weeks of mechanical loading, as the mineral density of the new bone increased. This increase in anisotropy of bone mineral occurred even though the collagen matrix was woven and had no measureable fibril orientation. We conclude that (1) collagen anisotropy and mineral anisotropy are not necessarily correlated in mineralized tissues, (2) mineralization can affect the collagen matrix elasticity of mineralized tissues, and (3) an organized mineral structure can form in the absence of an organized collagen matrix.  相似文献   

19.
Aluminum-lithiumalloy 2195 is a kind of poten-tial material for innovative manufacturing of key partsin aviation and aerospace .The alloys display a superi-or strengthto weight ratio than any other conventionalaluminumalloy under the applied condition .If the al-loyis properly processed ,it can perform higher frac-ture strength in cryogenic temperature than at roomtemperature[1],so its promising future in the nationaldefense industry can be predicted definitely . Howev-er ,the alloy exhibits s…  相似文献   

20.
The effects of applied pressure on the structural, mechanical, and electronic properties of LaAg5 compound were investigated employing the first-principles method based on the density functional theory. The mechanical results demonstrated that bulk modulus, shear modulus and Young's modulus presented the linearly increasing dependences on the external pressure; the B/G and Poisson's ratio indicated that La Ag5 compound was a ductile material with central forces in interatomic under pressure from 0 to 40 GPa; the universal anisotropic index was performed to investigate the elastic anisotropic of La Ag5. Additionally, the pressure dependence of the density of states and Mulliken charge were also discussed. The bonding characterization in La Ag5 was composed of metallic, covalent and ionic. The metallic component was derived from free-electron transferring from Ag-s and Ag-d to Ag-p, and from La-s to La-d. The ionic component was due to the charge movement from La to Ag. The covalent was owing to Ag-p-La-d bonding hybridization and Ag-s-Ag-p in the Ag atomic chains. The covalent and ionic bonds were stronger under pressure but there was no significant change in metallic nature.  相似文献   

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