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Machine-learning the configurational energy of multicomponent crystalline solids

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npj computational Materials 2018年第1期4卷 191-197页

作者： Anirudh raju Natarajan Anton Van der Ven Materials Department University of CaliforniaSanta Barbara 93106 CAUSA

Machine learning tools such as neural networks and Gaussian process regression are increasingly being implemented in the development of atomistic ***,we develop a formalism to leverage such non-linear interpolation tools in describing properties dependent on occupation degrees of freedom in multicomponent ***-adapted cluster functions are used to differentiate distinct local *** local features are used as input to neural networks that reproduce local properties such as the site *** apply the technique to reproduce a synthetic cluster expansion Hamiltonian with multi-body interactions,as well as the formation energies calculated from first-principles for the intercalation of lithium into *** formalism and results presented here show that complex multi-body interactions may be approximated by non-linear models involving smaller clusters.

关键词： solids cluster multicomponent

Optical parameters induced by phase transformation in rF magnetron sputtered TiO2 nanostructured thin films

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Progress in Natural Science:Materials International 2014年第3期24卷 218-225页

作者： Prabitha B.Nair V.B.Justinvictor Georgi P.Daniel k.Joy k.c.James raju David Devraj kumar P.V.Thomas Thin Film Lab Post Graduate and Research Department of Physics Mar Ivanios College School of Physics University of Hyderabad Central University P. O. college of Education Florida Atlantic University

Pure TiO2 thin films were deposited onto quartz substrates using a ceramic TiO2 target at an elevated substrate temperature of 573 k by rF magnetron sputtering, and an analysis of structural, optical and photoluminescence characteristics of the films upon phase transformation is reported in this paper. Structural investigations using X-ray diffraction revealed that the as-deposited film was amorphous in nature. Thermal annealing for 2 h at 873 k in air resulted in the formation of anatase phase, and a phase transformation to rutile was observed at 1073 *** increase in grain size and an improvement in crystallinity were also observed on annealing. rod- like rutile crystallites were observed in the SEM images of the film annealed at 1273 k. As-deposited films and films annealed up to 1073 k were highly transparent in the visible region with a transparency 480%. Optical band gap of the films decreased upon thermal annealing which is attributed to phase transformation from amorphous to anatase and then to rutile. Optical parameters such as refractive index, optical conductivity and optical dielectric constant increased with increase in annealing temperature. Since rutile is the optically active phase, the superior refractive index of the film annealed at 1073 k along with its high transparency in visible region suggests the application of this film in antireflective coatings. Photoluminescence emission of maximum intensity was observed for the film annealed at 873 k, which exhibits anatase phase. Intense blue emission observed in this film makes it suitable for use in optoelectronic display devices.

关键词： rF magnetron sputtering TiO2thin films Dislocation density Optical conductivity Photoluminescence

computerized tomography based “patient specific blocks” improve postoperative mechanical alignment in primary total knee arthroplasty

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World Journal of Orthopedics 2016年第7期7卷 426-433页

作者： raju Vaishya Vipul Vijay Vikas P Birla Amit k Agarwal Department of Orthopaedics Joint Replacement and ArthroscopyIndraprastha Apollo Hospital

AIM: To compare the postoperative mechanical alignment achieved after total knee arthroplasty(TkA) using computer tomography(cT) based patient specific blocks(PSB) to conventional instruments(cI).METHODS: Total 80 knees were included in the study, with 40 knees in both the groups operated using PSB and cI. All the knees were performed by a single surgeon using the same cruciate sacrificing implants. In our study we used cT based PSB to compare with cI. Postoperative mechanical femoro-tibial angle(MFT angle) was measured on long leg x-rays using picture archiving and communication system(PAcS). We compared mechanical alignment achieved using PSB and cI in TkA using statistical ***: The PSB group(group 1) included 17 females and seven males while in cI group(group 2) there were 15 females and eight males. The mean age of patients in group 1 was 60.5 years and in group 2 it was 60.2 years. The mean postoperative MFT angle measured on long-leg radiographs in group 1 was 178.23°(SD = 2.67°, range: 171.9° to 182.5°) while in group 2, the mean MFT angle was 175.73°(SD = 3.62°, range: 166.0° to 179.8°). There was significant improvement in postoperative mechanical alignment(P value = 0.001), in PSB group compared to cI. Number of outliers were also found to be less in group operated with PSB(7 knee) compared to those operated with cI(17 knee).cONcLUSION: PSB improve mechanical alignment after total knee arthroplasty, compared to cI. This may lead to lower rates of revision in the PSB based TkA as compared to the conventional instrumentation.

关键词： knee replacement Arthroplasty Patient specific jigs conventional jigs

Hydrogen peroxide mediates pro-inflammatory cell-to-cell signaling: a new therapeutic target for inflammation?

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Neural regeneration research 2019年第8期14卷 1430-1437页

作者： Dhanushka Gunawardena ritesh raju Gerald Münch Department of Pharmacology School of Medicine Western Sydney University

Nitric oxide is now universally recognized as an extracellular signaling molecule. Nitric oxide, produced in one cell, diffuses across the extracellular space and acts with targets in an adjoining cell. In this study, we present proof that hydrogen peroxide - like nitric oxide - acts as a true first (intercellular) messenger for a multitude of pro-inflammatory ligands. rAW 264.7 macrophages were activated with three different ligands, lipopolysaccharide, interferon-gamma or advanced glycation end products in the presence of increasing concentrations of (hydrogen peroxide scavenging) catalase. As inflammatory readouts, nitric oxide and tumor necrosis factor were determined. We hypothesize that hydrogen peroxide travels between cells propagating the signal, then a certain percentage of the readout should be inhibited by catalase in a concentration- dependent manner. The experiment showed concentration-dependent inhib让ion of nitric oxide and tumor necrosis factor-a production in response to all three ligands/ligand combinations (interferon-gamma, lipopolysaccharide, and chicken egg albumin-derived advanced glycation end product) in the presence of increasing concentration of catalase. For example, catalase inhibited 100% of nitric oxide and 40% of tumor necrosis factor-a production at its highest concentration. Our results suggest that hydrogen peroxide travels through cell membranes into the extracellular space and enters and activates ad;acent cells. Like rdtric oxide, we suggest that it is a ubiquitous first messenger, able to transmit cell-to-cell pro-inflammatory signals such as nitric oxide and tumor necrosis factor-a. In a therapeutic setting, our data suggest that compounds acting as hydrogen peroxide scavengers might not even need to enter the cell to act as anti-inflammatory drugs.

关键词： Inflammation glycation redox signaling cytokines anti-inflammatory drugs hydrogen peroxide membrane permeable lipopolysaccharide Interferon-gamma signaling

Nickel and aluminium recovery from spent reforming catalyst through selective leaching,crystallization and precipitation

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Transactions of Nonferrous Metals Society of china 2022年第1期32卷 345-353页

作者： Naga raju BATTI N.r.MANDrE Department of Qc&SSP Audit Projects&Development India Limited(Govt.of India U/T)PDIL BhawanA-14Sector-1NoidaGautam Buddh NagarU.P–201301India Department of Fuel Minerals and Metallurgical EngineeringIndian Institute of Technology(Indian School of Mines)DhanbadJharkhand–826004India

An attempt has been made to investigate and optimize the recovery of Ni and Al through sulphuric acid(3.0-5.5 mol/L)leaching under different operating *** the leaching experiments,it was possible to extract 98.5%of NiO and 40.7%of Al_(2)O_(3)under the conditions of 5.5 mol/L H_(2)SO_(4),reaction time of 4 h,solid-to-liquid ratio 0.2 g/mL,temperature of 358 k,particle sizer/min with 5.0 g catalyst *** leached liquor Al was separated by selective crystallization using 1.4 mol/L kOH and Ni was separated by selective precipitation using 0.3 mol/L H_(2)c_(2)O_(4).From the studies,it is possible to recover around 97.9%of NiO having 98.3%purity,around 25%of Al_(2)O_(3)was also recovered as alum-(k)having 99%purity and 14.7%of Al_(2)O_(3)as a salt of Al-k-c_(2)O_(4)-SO_(4).Sulphuric acid was found to be a suitable leaching agent for selective leaching and it was also observed that alum-(k)can be selectively crystallized from sulphate *** study also indicated the effective extraction and recovery of nickel and aluminium which were well supported by characterization studies using TG-DTA/DTG and XrD techniques.

关键词： spent catalyst leaching precipitation crystallization nickel aluminium

Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys

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npj computational Materials 2020年第1期6卷 989-997页

作者： Anirudh raju Natarajan Anton Van der Ven Materials Department University of CaliforniaSanta BarbaraCA 93106USA

The generalized stacking fault energy is a key ingredient to mesoscale models of *** we develop an approach to quantify the dependence of generalized stacking fault energies on the degree of chemical disorder in multicomponent *** introduce the notion of a“configurationally-resolved planar fault”(crPF)energy and extend the cluster expansion method from alloy theory to express the crPF as a function of chemical occupation variables of sites surrounding the *** apply the approach to explore the composition and temperature dependence of the unstable stacking fault energy(USF)in binary Mo–Nb ***-principles calculations are used to parameterize a formation energy and crPF cluster *** carlo simulations show that the distribution of USF energies is significantly affected by chemical composition and *** formalism is broadly applicable to arbitrary crystal structures and alloy chemistries and will enable the development of rigorous models for deformation mechanisms in high-entropy alloys.

关键词： alloy alloys fault

A study on deep learning algorithm performance on weed and crop species identification under different image background

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Artificial Intelligence in Agriculture 2022年第1期6卷 242-256页

作者： Sunil G c cengiz koparan Mohammed raju Ahmed Yu Zhang kirk Howatt Xin Sun Department of Agricultural and Biosystems Engineering North Dakota State UniversityFargoND 58108USA Department of Plant Sciences North Dakota State UniversityPO Box 6050FargoND 58108-6050USA

Weed identification is fundamental toward developing a deep learning-based weed control *** learning algorithms assist to build a weed detection model by using weed and crop *** dynamic environmental conditions such as ambient lighting,moving cameras,or varying image backgrounds could affect the performance of deep learning *** are limited studies on how the different image backgrounds would impact the deep learning algorithms for weed *** objective of this research was to test deep learning weed identification model performance in images with potting mix(non-uniform)and black pebbled(uniform)backgrounds *** weed and crop images were acquired by four canon digital cameras in the greenhouse with both uniform and non-uniform background conditions.A convolutional Neural Network(cNN),Visual Group Geometry(VGG16),and residual Network(resNet50)deep learning architectures were used to build weed classification *** model built from uniform background images was tested on images with a non-uniform background,as well as model built from non-uniform background images was tested on images with uniform *** showed that the VGG16 and resNet50 models built from non-uniform background images were evaluated on the uniform background,achieving models'performance with an average f1-score of 82.75%and 75%,***,the VGG16 and resNet50 models built from uniform background images were evaluated on the non-uniform background images,achieving models'performance with an average f1-score of 77.5%and 68.4%*** the VGG16 and resNet50 models'performances were im-proved with average f1-score values between 92%and 99%when both uniform and non-uniform background images were used to build the *** appears that the model performances are reduced when they are tested with images that have different object background than the ones used for building the model.

关键词： computer vision Deep learning Image background Neural network Weed classification

Global trend of publications in orthopaedics and sports medicine:1996-2021

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chinese Journal of Traumatology 2024年第6期27卷 368-371页

作者： raju Vaishya Abhishek Vaish Department of Orthopaedics and Joint replacement Surgery Indraprastha Apollo HospitalSarita ViharNew Delhi110076India

We studied the publication trend in the field of orthopaedics and sports medicine over the last 25 years(1996-2021),by various countries,and regions of the *** was an increasing trend in publications,across the *** of the Asian countries like china and India have shown a substantial growth in their research *** continent has contributed the most publications in the last 25 years,whereas the United States as a country has been on the top of the list of *** research-publications came from high-income countries and disproportionately less from low-and middle-income countries.

关键词： Publications research Orthopedics Sports medicine Medicine

A review on the current status of Fe-Al based ferritic lightweight steel

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Defence Technology（防务技术） 2023年第8期26卷 1-22页

作者： Shivkumar khaple Brahma raju Golla V.V.Satya Prasad Defence Metallurgical research Laboratory HyderabadIndia Metallurgical and Materials Engineering Department National Institute of TechnologyWarangalIndia

There is an ever-growing demand for lightweighting of steel for structural applications,particularly for automobile and transportation *** is mainly to improve the fuel efficiency,reduce the cO_(2) emissions and cater the increased passenger ***,the main focus is to reduce the density of the steel structure without affecting other *** can be achieved by down-gauging of the conventional steel by replacing the steel with higher strength,however,it is limited by dent resistance and ***,the novel idea is to reduce the density of the steel *** is well-known that addition of Al to steel reduces the density of the *** 1wt% of Al addition to steel can reduce the density by 1.3%,decreases the elastic modulus by 2% and it improves the strength by about 40 *** is a new class of low-density/lightweight steel with addition of about 6-9 wt% Al to *** of higher than 9 wt%of Al in steel leads to embrittlement issues due to ordering and environmental *** disordered Fe-Al lightweight steels have raised considerable interest due to their low-density,high ductility,costeffectiveness and feasibility for bulk *** low-density steels are envisaged in the development of an advanced lightweight ground transportation system,huge structures and also for certain defence applications and in thermal power plants.

关键词： Low-density steels Disordered FeeAl Thermo-mechanical processing Microstructure Properties Structure-property correlation