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1.
An infrared based positioning and tracking (IPT) system was introduced and its accuracy and efficiency for patient setup and monitoring were tested for daily radiotherapy treatment. The IPT system consists of a pair of floor mounted infrared stereoscopic cameras, passive infrared markers and tools used for acquiring localization information as well as a custom controlled software which can perform the positioning and tracking functions. The evaluation of IPT system characteristics was conducted based on the AAPM 147 task report. Experiments on spatial drift and reproducibility as well as static and dynamic localization accuracy were carried out to test the efficiency of the IPT system. Measurements of known translational (up to 55.0 mm) set-up errors in three dimensions have been performed on a calibration phantom. The accuracy of positioning was evaluated on an anthropomorphic phantom with five markers attached to the surface; the precision of the tracking ability was investigated through a sinusoidal motion platform. For the monitoring of the respiration, three volunteers contributed to the breathing testing in real time. The spatial drift of the IPT system was 0.65 mm within 60 min to be stable. The reproducibility of position variations were between 0.01 and 0.04 mm. The standard deviation of static marker localization was 0.26 mm. The repositioning accuracy was 0.19 mm, 0.29 mm, and 0.53 mm in the left/right (L/R), superior/inferior (S/I) and anterior/posterior (A/P) directions, respectively. The measured dynamic accuracy was 0.57 mm and discrepancies measured for the respiratory motion tracking was better than 1 mm. The overall positioning accuracy of the IPT system was within 2 mm. In conclusion, the IPT system is an accurate and effective tool for assisting patient positioning in the treatment room. The characteristics of the IPT system can successfully meet the needs for real time external marker tracking and patient positioning as well as respiration monitoring during image guided radiotherapy treatments.  相似文献   

2.
PurposeSpatial position accuracy in magnetic resonance imaging (MRI) is an important concern for a variety of applications, including radiation therapy planning, surgical planning, and longitudinal studies of morphologic changes to study neurodegenerative diseases. Spatial accuracy is strongly influenced by gradient linearity. This work presents a method for characterizing the gradient non-linearity fields on a per-system basis, and using this information to provide improved and higher-order (9th vs. 5th) spherical harmonic coefficients for better spatial accuracy in MRI.MethodsA large fiducial phantom containing 5229 water-filled spheres in a grid pattern is scanned with the MR system, and the positions all the fiducials are measured and compared to the corresponding ground truth fiducial positions as reported from a computed tomography (CT) scan of the object. Systematic errors from off-resonance (i.e., B0) effects are minimized with the use of increased receiver bandwidth (± 125 kHz) and two acquisitions with reversed readout gradient polarity. The spherical harmonic coefficients are estimated using an iterative process, and can be subsequently used to correct for gradient non-linearity. Test-retest stability was assessed with five repeated measurements on a single scanner, and cross-scanner variation on four different, identically-configured 3 T wide-bore systems.ResultsA decrease in the root-mean-square error (RMSE) over a 50 cm diameter spherical volume from 1.80 mm to 0.77 mm is reported here in the case of replacing the vendor's standard 5th order spherical harmonic coefficients with custom fitted 9th order coefficients, and from 1.5 mm to 1 mm by extending custom fitted 5th order correction to the 9th order. Minimum RMSE varied between scanners, but was stable with repeated measurements in the same scanner.ConclusionsThe results suggest that the proposed methods may be used on a per-system basis to more accurately calibrate MR gradient non-linearity coefficients when compared to vendor standard corrections.  相似文献   

3.
An automatic coarse-alignment method for a tilt series of rod-shaped specimen collected with a full angular range (from α = ?90° to +90°, α is the tilt angle of the specimen) is presented; this method is based on a cross-correlation method and uses the outline of the specimen shape. Both the rotational angle of the tilt axis and translational value of each image can be detected in the images without the use of markers. This method is performed on the basis of the assumption that the images taken at α = ?90° and α =  + 90° are symmetric about the tilt axis. In this study, a carbon rod on which gold particles have been deposited is used as a test specimen for the demonstration. This method can be used as an automatic coarse-alignment method prior to the application of a highly accurate alignment method because the alignment procedure can be performed automatically except for the initial setup of some parameters.  相似文献   

4.
PurposeTo evaluate the performance of combined integrated slice-by-slice shimming and readout-segmented EPI (irsEPI) for diffusion-weighted MR imaging (DWI) of the neck at 3 Tesla.MethodsThis study was approved by the local ethics committee. An anthropometric phantom of the head/neck region incorporating compartments with different diffusivities was constructed. In vivo measurements were performed in 10 healthy volunteers. DWI of the phantom and volunteers was performed on a 3 Tesla MR scanner using single shot EPI (sEPI), a prototype single shot EPI with integrated slice-by-slice shimming (iEPI), readout segmented EPI (rsEPI) and a prototype readout segmented EPI with integrated shimming irsEPI. Apparent diffusion coefficients (ADC) and spatial distortions of phantom compartments were quantified. For phantom and volunteer measurements, the presence of geometric distortions, signal losses, ghosting artifacts as well as overall image quality were visually assessed on a 4-point scale by two radiologists in consensus. In addition, failure of fat saturation was assessed in volunteer data.ResultsQuantification of ADC within the phantom compartments was comparable using the different EPI techniques without significant variations. Using irsEPI, spatial distortions in phase-encoding direction were markedly reduced compared to iEPI, rsEPI and especially sEPI. irsEPI yielded significantly better overall image quality compared to sEPI, iEPI and rsEPI in phantom data as well as volunteer measurements. Markedly reduced geometric distortions and signal loss as well as better fat saturation were observed using irsEPI.ConclusionThe use of irsEPI significantly improves image quality and reduces artifacts caused by magnetic field inhomogeneities in EPI based DWI of the head/neck at 3 Tesla.  相似文献   

5.
Head motion is an unsolved problem in magnetic resonance imaging (MRI) studies of the brain. Real-time tracking using a camera has recently been proposed as a way to prevent head motion artifacts. As compared to navigator-based approaches that use MRI data to detect and correct motion, optical motion correction works independently of the MRI scanner, thus providing low-latency real-time motion updates without requiring any modifications to the pulse sequence. The purpose of this study was two-fold: 1) to demonstrate that prospective optical motion correction using an optical camera mitigates artifacts from head motion in three-dimensional pseudo-continuous arterial spin labeling (3D PCASL) acquisitions and 2) to assess the effect of latency differences between real-time optical motion tracking and navigator-style approaches (such as PROMO). An optical motion correction system comprising a single camera and a marker attached to the patient's forehead was used to track motion at a rate of 60 fps. In the presence of motion, continuous tracking data from the optical system was used to update the scan plane in real-time during the 3D-PCASL acquisition. Navigator-style correction was simulated by using the tracking data from the optical system and performing updates only once per repetition time. Three normal volunteers and a patient were instructed to perform continuous and discrete head motion throughout the scan. Optical motion correction yielded superior image quality compared to uncorrected images or images using navigator-style correction. The standard deviations of pixel-wise CBF differences between reference and non-corrected, navigator-style-corrected and optical-corrected data were 14.28, 14.35 and 11.09 mL/100 g/min for continuous motion, and 12.42, 12.04 and 9.60 mL/100 g/min for discrete motion. Data obtained from the patient revealed that motion can obscure pathology and that application of optical prospective correction can successfully reveal the underlying pathology in the presence of head motion.  相似文献   

6.
PurposeTo develop a RF coil system for joint imaging of intracranial and extracranial arterial vessel wall at 3T.Materials and methodThe coil system consists of a 24-channel head coil combined with an 8-channel carotid coil. It is compared with a standard coil configuration (12-channel head coil + 4-channel neck coil + 8-channel carotid coil) for SNR and g-factors in phantoms and healthy volunteers. The clinical relevance of the proposed coil system is also evaluated in patients.ResultsIn phantom experiments, the SNR of the proposed coil system is 53% higher than the maximum SNR of the standard coil configuration at the center of the phantom which usually corresponds to the intracranial region of the head. The g-factors of the proposed coil system in the sagittal plane are lower than the standard coil configuration (by 10.8% and 26.6% for R = 2 and 4 respectively) in the same experiment. In healthy volunteer experiments, 55% of the pixels have SNR above 100 for the proposed coil system, which is 33% more than that of the standard coil configuration. The maximum g-factors in the standard configuration are higher than those from the new coil design by 12% at R = 2 and up to 36% at R = 4 in the sagittal plane. In patients, in-vivo intracranial and extracranial arterial wall images at an isotropic spatial resolution of 0.6 mm can be acquired using the proposed coil system. Plaques are well depicted from the images.ConclusionsThe performance of the proposed coil set is superior to the standard coil configuration, providing high SNR, low g-factor and good spatial coverage needed for simultaneous high resolution imaging of intracranial and extracranial arterial walls. Images acquired in 7.6 min using the proposed coil system can achieve an isotropic spatial resolution of 0.6 mm and can be used to depict plaques on the intracranial and extracranial arterial walls in patients.  相似文献   

7.
The purpose of this study was to estimate the accuracy of a method in which three-dimensional (3D) magnetic resonance (MR) volume registration is used for monitoring hip joint disease. Data were analyzed using a normalized cross-correlation (NCC) algorithm involving a user-selected 3D box including the proximal femur. Most of the femoral head was not included in the 3D box because it can become deformed during the course of disease. The accuracy of registration around the femoral head was evaluated using five phantoms and clinical MR data of 17 patients with hip joint disease. In the phantom experiment, registration accuracy was evaluated using four fiducial markers attached to the femoral head. In the experiment using clinical data, registration accuracy was evaluated using a landmark in the femoral head. The registration accuracy in the phantom and clinical experiment was 0.43+/-0.18 mm (S.D.) and 1.12+/-0.46 mm (S.D.), respectively. The former is a value less than half the minimum dimension of a voxel (1.25 x 1.25 x 1.0 mm). Although the latter is slightly larger than the minimum dimension of a voxel, actual errors would be smaller because of the uncertainty in landmark localization. In conclusion, the present method based on an NCC algorithm can be used to accurately register serial MR images of the femoral heads with an error on the order of a voxel. We believe that this method is sufficiently accurate for monitoring hip joint diseases.  相似文献   

8.
This paper presents a system for positioning markers and tracking the pose of a rigid object with 6 degrees of freedom in real-time using 3D digital image correlation, with two examples for medical imaging applications. Traditional DIC method was improved to meet the requirements of the real-time by simplifying the computations of integral pixel search. Experiments were carried out and the results indicated that the new method improved the computational efficiency by about 4–10 times in comparison with the traditional DIC method. The system was aimed for orthognathic surgery navigation in order to track the maxilla segment after LeFort I osteotomy. Experiments showed noise for the static point was at the level of 10−3 mm and the measurement accuracy was 0.009 mm. The system was demonstrated on skin surface shape evaluation of a hand for finger stretching exercises, which indicated a great potential on tracking muscle and skin movements.  相似文献   

9.
PurposeA fast spin-echo sequence based on the Periodically Rotated Overlapping Parallel Lines with Enhanced Reconstruction (PROPELLER) technique is a magnetic resonance (MR) imaging data acquisition and reconstruction method for correcting motion during scans. Previous studies attempted to verify the in vivo capabilities of motion-corrected PROPELLER in real clinical situations. However, such experiments are limited by repeated, stray head motion by research participants during the prescribed and precise head motion protocol of a PROPELLER acquisition. Therefore, our purpose was to develop a brain phantom set for motion-corrected PROPELLER.Materials and methodsThe profile curves of the signal intensities on the in vivo T2-weighted image (T2WI) and 3-D rapid prototyping technology were used to produce the phantom. In addition, we used a homemade driver system to achieve in-plane motion at the intended timing. We calculated the Pearson's correlation coefficient (R2) between the signal intensities of the in vivo T2WI and the phantom T2WI and clarified the rotation precision of the driver system. In addition, we used the phantom set to perform initial experiments to show the rotational angle and frequency dependences of PROPELLER.ResultsThe in vivo and phantom T2WIs were visually congruent, with a significant correlation (R2) of 0.955 (p < .001). The rotational precision of the driver system was within 1 degree of tolerance. The experiment on the rotational angle dependency showed image discrepancies between the rotational angles. The experiment on the rotational frequency dependency showed that the reconstructed images became increasingly blurred by the corruption of the blades as the number of motions increased.ConclusionsIn this study, we developed a phantom that showed image contrasts and construction similar to the in vivo T2WI. In addition, our homemade driver system achieved precise in-plane motion at the intended timing. Our proposed phantom set could perform systematic experiments with a real clinical MR image, which to date has not been possible in in vivo studies. Further investigation should focus on the improvement of the motion-correction algorithm in PROPELLER using our phantom set for what would traditionally be considered problematic patients (children, emergency patients, elderly, those with dementia, and so on).  相似文献   

10.
The purpose of this work is to confirm the effectiveness of our proposed spatially variant displacement component-dependent regularization for our previously developed ultrasonic two-dimensional (2D) displacement vector measurement methods, i.e., 2D cross-spectrum phase gradient method (CSPGM), 2D autocorrelation method (AM), and 2D Doppler method (DM). Generally, the measurement accuracy of lateral displacement spatially varies and the accuracy is lower than that of axial displacement that is accurate enough. This inaccurate measurement causes an instability in a 2D shear modulus reconstruction. Thus, the spatially variant lateral displacement regularization using the lateral displacement variance will be effective in obtaining an accurate lateral strain measurement and a stable shear modulus reconstruction than a conventional spatially uniform regularization. The effectiveness is verified through agar phantom experiments. The agar phantom [60 mm (height) × 100 mm (lateral width) × 40 mm (elevational width)] that has, at a depth of 10 mm, a circular cylindrical inclusion (dia. = 10 mm) of a higher shear modulus (2.95 and 1.43 × 106 N/m2, i.e., relative shear modulus, 2.06) is compressed in the axial direction from the upper surface of the phantom using a commercial linear array type transducer that has a nominal frequency of 7.5-MHz. Because a contrast-to-noise ratio (CNR) expresses the detectability of the inhomogeneous region in the lateral strain image and further has almost the same sense as that of signal-to-noise ratio (SNR) for strain measurement, the obtained results show that the proposed spatially variant lateral displacement regularization yields a more accurate lateral strain measurement as well as a higher detectability in the lateral strain image (e.g., CNRs and SNRs for 2D CSPGM, 2.36 vs 2.27 and 1.74 vs 1.71, respectively). Furthermore, the spatially variant lateral displacement regularization yields a more stable and more accurate 2D shear modulus reconstruction than the uniform regularization (however, for the regularized relative shear modulus reconstructions, slightly accurate, e.g., for 2D CSPGM, 1.51 vs 1.50). These results indicate that the spatially variant displacement component-dependent regularization will enable the 2D shear modulus reconstruction to be used as practical diagnostic and monitoring tools for the effectiveness of various noninvasive therapy techniques of soft tissue diseases (e.g., breast, liver cancers). Application of the regularization to the elevational displacement will also increase the stability of a three-dimensional (3D) reconstruction.  相似文献   

11.
There are few effective methods to detect or prevent the extravasation of injected materials such as chemotherapeutic agents and radiographic contrast materials. To investigate whether a thermographic camera could visualize the superficial vein and extravasation using the temperature gradient produced by the injected materials, an infrared thermographic camera with a high resolution of 0.04 °C was used. At the room temperature of 26 °C, thermal images and the time course of the temperature changes of a paraffin phantom embedded with rubber tubes (diameter 3.2 mm, wall thickness 0.8 mm) were evaluated after the tubes were filled with water at 15 °C or 25 °C. The rubber tubes were embedded at depths of 0 mm, 1.5 mm, and 3.0 mm from the surface of the phantom. Temperature changes were visualized in the areas of the phantom where the tubes were embedded. In general, changes were more clearly detected when greater temperature differences between the phantom and the water and shallower tube locations were employed. The temperature changes of the surface of a volunteer’s arm were also examined after a bolus injection of physiological saline into the dorsal hand vein or the subcutaneous space. The injection of 5 ml room-temperature (26 °C) saline into the dorsal hand vein enabled the visualization of the vein. When 3 ml of room-temperature saline was injected through the vein into the subcutaneous space, extravasation was detected without any visualization of the vein. The subtraction image before and after the injection clearly showed the temperature changes induced by the saline. Thermography may thus be useful as a monitoring system to detect extravasation of the injected materials.  相似文献   

12.
In this work, a design study of a three field-of-view (FOV) optical system for 8–12 μm imaging using a 288×4 focal plane array detector is presented. The detector pixel size is 25 μm×28 μm. The f/# of the detector is 1.76. In order to switch the FOVs, three different optical configurations are superimposed and all three configurations are optimized. The narrow and medium FOV switching is based on movement of the second negative lens of the afocal system, whereas the wide FOV is selected by inserting a mirror between the 4th and 5th lenses of the afocal system. By inserting a switching mirror, the objective part of the first configuration is blocked out; nevertheless the afocal of the wide FOV is activated. The imager part of the layout is common for all FOVs. Diffractive and aspheric surfaces are utilized to control chromatic and all other kinds of aberrations, reducing the total lens number. The final optical designs, together with their modulation transfer function (MTF) plots, are illustrated, exhibiting excellent performance in all three FOVs. More specifically, the paper emphasizes how the displacement of compensating lenses effect the MTF of the system and how automatic movements of the lenses are used to eliminate the defocusing problem under changing environmental conditions.  相似文献   

13.
Multiple sclerosis (MS) causes demyelinating lesions in the white matter and increased iron deposition in the subcortical gray matter. Myelin protons have an extremely short T2* (< 1 ms) and are not directly detected with conventional clinical magnetic resonance (MR) imaging sequences. Iron deposition also reduces T2*, leading to reduced signal on clinical sequences. In this study we tested the hypothesis that the inversion recovery ultrashort echo time (IR-UTE) pulse sequence can directly and simultaneously image myelin and iron deposition using a clinical 3 T scanner. The technique was first validated on a synthetic myelin phantom (myelin powder in D2O) and a Feridex iron phantom. This was followed by studies of cadaveric MS specimens, healthy volunteers and MS patients. UTE imaging of the synthetic myelin phantom showed an excellent bi-component signal decay with two populations of protons, one with a T2* of 1.2 ms (residual water protons) and the other with a T2* of 290 μs (myelin protons). IR-UTE imaging shows sensitivity to a wide range of iron concentrations from 0.5 to ~ 30 mM. The IR-UTE signal from white matter of the brain of healthy volunteers shows a rapid signal decay with a short T2* of ~ 300 μs, consistent with the T2* values of myelin protons in the synthetic myelin phantom. IR-UTE imaging in MS brain specimens and patients showed multiple white matter lesions as well as areas of high signal in subcortical gray matter. This in specimens corresponded in position to Perl's diaminobenzide staining results, consistent with increased iron deposition. IR-UTE imaging simultaneously detects lesions with myelin loss in the white matter and iron deposition in the gray matter.  相似文献   

14.
Di Xiao  Frank Y. Shih 《Optics Communications》2012,285(10-11):2596-2606
The original hierarchical watermarking scheme for image tamper detection and recovery has simple computation and high performance precision which can achieve 2 × 2 subblock. However, four-scanning and blind attacks have been proposed recently on this scheme. We generalize these attacks and analyze the cause of security flaws. We think that it is promising to improve the original scheme's security and keep its merit at the same time. In order to defeat these attacks, we develop an improved method to generate a block mapping sequence by sorting the chaotic sequence and add the chaotic encryption and permutation based on the exact content of each subblock to be the post-processing of the 3-tuple watermark. Our method uses the simple watermarking scheme and satisfies the performance requirements of fragile watermarking, such as high-precision tamper detection, localization and recovery. Theoretical analysis and computer simulation demonstrate that our proposed scheme is much more secure and can overcome possible attacks.  相似文献   

15.
In this work, two all-fiber interferometric configurations based on suspended core fibers (SCF) are investigated. A Fabry–Pérot cavity (FPC) made of SCF spliced in-between segments of single-mode and hollow-core fiber is proposed. The interferometric signals are generated by the refractive-index mismatches between the two fibers in the splice region and at the end of the suspended-core fiber. An alternative sensing head configuration formed by the insertion of a length of SCF as a birefringence element in a Sagnac loop interferometer is also demonstrated. In this structure, the interferometric signals are generated by interfering two counter propagating beams with different polarization states which propagate through a length of SCF as a birefringence element. The sensitivity to pressure and temperature was determined for both configurations. The results show that the pressure sensitivities are ? 4.68 × 10? 5 nm/psi and 0.032 nm/psi for FPC and Sagnac loop interferometers, respectively. The temperature sensitivity of both structures has been obtained and the results have been discussed.  相似文献   

16.
The effect of deformation temperature on the strain localization has been evaluated by an adapted digital image correlation (DIC) technique during tensile deformation. The progress of strain localization was traced by the corresponding strain maps. The electron backscatter diffraction analysis and tint etching technique were utilized to determine the impact of martensitic transformation and deformation twinning on the strain localization in both elastic and plastic regimes. In elastic regime the narrow strain bands which are aligned perpendicular to the tension direction were observed in temperature range of 25 to 180 °C due to the stress-assisted epsilon martensite. The strain bands were disappeared by increasing the temperature to 300 °C and reappeared at 400 °C due to the stress-assisted deformation twinning. In plastic regime strain localization continued at 25 °C and 180 °C due to the strain-induced alfa-martensite and deformation twinning, respectively. The intensity of plastic strain localization was increased by increasing the strain due to the enhancement of martensite and twin volume fraction. The plastic strain showed more homogeneity at 300 °C due to the lack of both strain-induced martensite and deformation twinning.  相似文献   

17.
A scheme to generate high speed optical pulse train with ultra short pulse width is proposed and experimentally studied. Two-step compression is used in the scheme: 20 GHz and 40 GHz pulse trains generated from a rational harmonic actively mode-locked fiber ring laser is compressed to a full width at half-maximum (FWHM) of ~ 1.5 ps using adiabatic soliton compression with dispersion shifted fibers (DSF). The pulse trains then undergo a pedestal removal process by transmission through a cascaded two photonic crystal fiber (PCF)-nonlinear optical loop mirrors (NOLM) realized using a double-ring structure. The shortest output pulse width obtained was ~ 610 fs for 20 GHz pulse train and ~ 570 fs for 40 GHz pulse train. The signal to noise ratio of the RF spectrum of the output pulse train is larger than 30 dB. Theoretical simulation of the NOLM transmission is conducted using split-step Fourier method. The results show that two cascaded NOLMs can improve the compression result compared to that for a single NOLM transmission.  相似文献   

18.
Pubic concerns related to particulate matter emissions from animal housing operations are increasing. The goal of this study was to custom develop a simple and low cost electrostatic precipitator (ESP) for poultry dust control. The performance of the improved electrostatic precipitator (iESP) to remove a test aerosol was evaluated under a series of operating voltages between ?60 kV and 60 kV. The mass and size distributions of the particles were measured by a cascade impactor. The overall dust removal efficiency ranged from 37% to 79% with the maximum efficiency obtained at ?30 kV. The iESP shows high removal efficiencies for particles less than 2.1 μm.  相似文献   

19.
《Ultrasonics》2013,53(1):36-44
Vibro-acoustography (VA) is a medical imaging method based on the difference-frequency generation produced by the mixture of two focused ultrasound beams. VA has been applied to different problems in medical imaging such as imaging bones, microcalcifications in the breast, mass lesions, and calcified arteries. The obtained images may have a resolution of 0.7–0.8 mm. Current VA systems based on confocal or linear array transducers generate C-scan images at the beam focal plane. Images on the axial plane are also possible, however the system resolution along depth worsens when compared to the lateral one. Typical axial resolution is about 1.0 cm. Furthermore, the elevation resolution of linear array systems is larger than that in lateral direction. This asymmetry degrades C-scan images obtained using linear arrays. The purpose of this article is to study VA image restoration based on a 3D point spread function (PSF) using classical deconvolution algorithms: Wiener, constrained least-squares (CLSs), and geometric mean filters. To assess the filters’ performance on the restored images, we use an image quality index that accounts for correlation loss, luminance and contrast distortion. Results for simulated VA images show that the quality index achieved with the Wiener filter is 0.9 (when the index is 1.0 this indicates perfect restoration). This filter yielded the best result in comparison with the other ones. Moreover, the deconvolution algorithms were applied to an experimental VA image of a phantom composed of three stretched 0.5 mm wires. Experiments were performed using transducer driven at two frequencies, 3075 kHz and 3125 kHz, which resulted in the difference-frequency of 50 kHz. Restorations with the theoretical line spread function (LSF) did not recover sufficient information to identify the wires in the images. However, using an estimated LSF the obtained results displayed enough information to spot the wires in the images. It is demonstrated that the phase of the theoretical and the experimental PSFs are dissimilar. This fact prevents VA image restoration with the current theoretical PSF. This study is a preliminary step towards understanding the restoration of VA images through the application of deconvolution filters.  相似文献   

20.
《Physics letters. A》2020,384(27):126688
This contribution presents a theoretical investigation of monovalent metal-ion adsorption and diffusion on two-dimensional (2D) buckled nanostructure of molybdenum carbide (MoC) by using the first principle method. We find that buckled MoC nanostructure exhibits great stability, semiconducting electronic property, and high performance as electrode material. Interestingly, Crystal Orbital Hamilton population (COHP) method results show that buckled MoC is chemically stable in a wide range of temperatures, and various Li, Na, ions adsorbed configurations, which is beneficial for anode materials. Especially, single-layer MoC exhibits a superior theoretical capacity of 993.16 mA h g−1 for Li-ions and 496.58 mA h g−1 for Na/K-ions. The storage capacity of 1200 mA h g−1 is found for the adsorption of ions on multilayer bulk MoC. Moreover, migration energy barriers are predicted as 0.38 eV for Li, 0.32 eV for Na, and 0.24 eV for K; these remarkable results determine the applicability of buckled MoC as ideal anode material for metal-ion battery applications.  相似文献   

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