Digital Commons Network^™

Thermophysical Characteristics Evaluation Of Carbon And Metal Oxide-Based Hybrid Phase Change Materials For Thermal Energy Storage Applications, Utpol K. Paul, Md Shahriar Mohtasim, Md Golam Kibria, Barun K. Das

Research outputs 2022 to 2026

Phase change materials (PCM) have limited practical applications due to their low heat conductivity. The main goal of this work is to improve the thermophysical properties of PCM by adding different compositions of hybrid carbon and metal oxide-based nanoparticles for incorporation into hybrid photovoltaic/thermal solar systems to accommodate the built environment and thermal energy storage as a building envelope for thermal comfort. Three types of nanoparticles have been selected including Graphene, Al2O3, and ZnO and synthesized samples with the combinations of 0.5 wt% Al2O3 + 2 wt% ZnO, 0.75 wt% Al2O3 + 2 wt% ZnO, 1 wt% Al2O3 + 2 …

Harnessing Surface Chemistry: A Comprehensive Review On The Role Of Functional Groups In Antifouling Membrane Design, Mohadeseh Najafi, Javad Farahbakhsh, Roham Ghanbari, Masoumeh Zargar

Research outputs 2022 to 2026

Membrane fouling remains a major barrier to reliable and cost-effective water treatment, motivating surface engineering strategies that suppress foulant attachment while preserving permeability and selectivity. This review critically examines antifouling membrane design through a functional-group-centred framework, focusing on grafted monomers and polymer architectures that regulate interfacial hydration, charge, polarity, and steric interactions. Oxygen-, nitrogen-, sulfur-, phosphorus-containing, zwitterionic, and multifunctional chemistries are comparatively evaluated across organic fouling, biofouling, colloidal deposition, and scaling. The analysis demonstrates that antifouling performance is governed not only by functional group identity but also by grafting density, chain conformation and mobility, spatial uniformity, and anchoring stability. Oxygen-rich …

Long Range Battery-Free Wireless Power Transfer Testbed For Underground Mines Iot And Lpwan Devices, Anabi Hilary Kelechi, Samuel Frimpong, Sanjay Madria

Mining Engineering Faculty Research & Creative Works

Underground mines are susceptible to occasional roof falls and cave-ins, temporarily destroying the existing wireless communications and telemetry infrastructure. During this temporary outage, intermittent provision of electrical energy wirelessly to the already deployed low-power wireless area networks (LPWAN) and Internet of Things (IoT) devices assumes a fundamental requirement. In this article, we propose and design a long-range far-field radio frequency (RF) wireless power transfer (WPT) testbed to power LPWAN and IoT devices at 35 m in an underground mines facility. Class AB external power amplifier (PA) was introduced to achieve a long-distance RF WPT, in the 880 MHz band. Thus, …

Extending Geometric Acoustic Ray Tracing To Multi-Room Environments: A Case Study On Gunshot Sound Transmission Between Adjacent Rooms, Tyler Ton

Theses and Dissertations

Accurate localization of gunshots in multi-room building environments remains a challenging problem in acoustic forensics and public safety applications. Existing approaches model sound propagation within a single room, neglecting the transmission of acoustic energy through walls and other building materials. This thesis presents a study on modeling multi-room gunshot acoustic transmission, combining geometric ray tracing with structural acoustic transmission-loss modeling to generate impulse responses for two horizontally adjacent rooms separated by a shared wall, providing a foundation for future inter-room gunshot localization work. The proposed system uses GSound-SIR, a geometric acoustics engine, to simulate sound propagation in both of the …

A Data-Driven Koopman Framework For Station-Keeping On Near Rectilinear Halo Orbit, Anusha Sharma Malladi

Theses and Dissertations

Cislunar missions have gained significant attention in recent decades, motivating the need for efficient modeling and reliable control. In this work a Koopman operator based framework is developed for approximating the error dynamics around a reference Near Rectilinear Halo Orbit (NRHO) in the Earth-Moon Circular Restricted Three-Body Problem (CR3BP). A decoder free neural network is used to learn a lifted linear representation of the nonlinear CR3BP dynamics and a residual based approach is used to identify the corresponding control input matrix. The model is then implemented in a receding-horizon target point controller and compared with uncontrolled propagation and a State …

Comparative Performance Of Physiological Vital-Sign Forecasting Under Random And Patient-Wise Splitting Using Deep Learning, Lavanya Vasavi Chittem Reddy

Theses and Dissertations

Physiological vital-sign forecasting estimates future measurements based on recent temporal patterns and can support analysis of continuously recorded monitoring data. This study comparatively evaluated deep feedforward, recurrent, bidirectional recurrent, long short-term memory, and bidirectional long short-term memory architectures for one-step-ahead forecasting of peripheral oxygen saturation, heart rate, and pulse rate. Each model received consecutive observations of peripheral oxygen saturation, heart rate, pulse rate, respiratory rate, and age, while separate single-output models predicted the next value of the selected target.

Random and patient-wise data splitting were compared using identical input definitions, preprocessing procedures, model architectures, and training hyperparameters. The strongest architecture …

Developing Imitation Learning Policies By Exploring Diffusion Framework For Quadcopters, Likith Swamireddy

Theses and Dissertations

Imitation learning offers a promising approach in developing near-optimal onboard policies for nonlinear systems, by learning from computationally expensive trajectory planners during offline training. Existing State-of-the-art methods commonly learn deterministic mappings from observations to actions by training fast neural networks to mimic the expert demonstrations, which can limit their ability to capture the action distribution, when the policy is trained on multiple possible expert commands to reach the same target, and this may lead to unsafe scenarios in the obstacle environments. To address these challenges, this study explores Diffusion Models (DMs) as a feedback controller for quadcopters that learns the …

Green Waste Biochar And Plant Growth-Promoting Bacteria Enhance Tomato Growth Under Combined Nutrient Deficiency And Salinity Stress, Soumaya Tounsi-Hammami, Munawwar Ali Khan, Mahra Alqemzi, Salama Ali Almehairi, Aneesa Rasheed Anwar

All Works

This study characterized a green-waste-derived biochar from date palms and ghaf trees and investigated its potential as a soil amendment with halotolerant Bacillus spp. to improve tomato seedling quality under dual stress of salinity and nutrient deficiency. Biochar was produced through pyrolysis at 450 °C and then characterized for yield, pH, electrical conductivity, proximate analysis, surface morphology, energy-dispersive X-ray spectroscopy, and heavy-metal content. Its effectiveness was tested both alone and in combination with a Bacillus sp. mix, using a completely randomized design with varying NPK fertilizer levels and saline irrigation. Tomato seedlings were evaluated 45 days after planting for various …

Reimagining Sustainable Sulfur Concrete: A Systematic Review Of Sulfur, Waste Integration, And Durability, Vasilia Al Khaldi, Abdel Hamid I. Mourad, Maisa Elgamal

All Works

Sulfur concrete (SC) - a thermoplastic, waterless composite in which molten sulfur-based binder replaces Portland cement - is attracting growing research attention as a sustainable construction alternative capable of superior performance in chemically aggressive environments. This systematic literature review synthesises evidence from 127 sources (2000–2025), examining three interlinked dimensions: (i) the role of waste and industrial by-product materials as aggregate and filler substitutes; (ii) the influence of aggregate type, morphology, and grading on mechanical and microstructural performance; and (iii) durability under acid, saline, and freeze-thaw exposures. A transparent, PRISMA-aligned screening and classification protocol - here used as a structured review …

Aluminium Based Hydrotalcite Like Compounds For Direct Lithium Extraction: A Critical Review On Crystallography And Structure Selectivity Design, Amin Sarmadi, Yasaman Boroumand, Mohammad Mahdi A. Shirazi, Magdalena Wajrak, Shayan Abrishami, Matthew Myers, Muhammad Rizwan Azhar, Amir Razmjou

Research outputs 2022 to 2026

The accelerating demand for lithium is intensifying interest in direct lithium extraction (DLE) technologies that minimise the environmental footprint of conventional solar evaporation ponds. Among sorbent-based DLE concepts, aluminium based hydrotalcite like compounds (Al-HTlc), particularly lithium aluminium layered double hydroxide (LiAl-LDH), are considered the most mature sorbent options, offering facile lithium (Li+) recovery and high selectivity in highly saline chloride based solutions. Both properties arise from a distinct intercalation mechanism wherein Li+ and its counter-anions (e.g. Cl− or SO42−) are co-intercalated into the crystal structure upon brine exposure. Li+ selectivity arises partly from a steric match between Li+ (ionic radius …

Scalable And Interpretable Fraud Detection In Fintech: Evidence From A Hybrid Tabnet–Graph Neural Network Framework, Haseeb Ahmad, Istiaque Bhuiyan, Tanvir Bhuiyan, Ariful Hoque

Research outputs 2022 to 2026

This study proposes a fraud detection framework for FinTech that integrates tabular deep learning with relational graph reasoning. We address a key limitation of state-of-the-art tabular fraud models: their assumption that transactions are independent, despite evidence that modern fraud often arises from coordinated infrastructure reuse (e.g., shared devices, email domains, accounts, and addresses). Using the IEEE-CIS Fraud Detection dataset (≈590,540 e-commerce transactions), we develop a hybrid architecture that combines TabNet, chosen for its built-in interpretability on tabular data, with a GraphSAGE encoder trained on a leakage-free heterogeneous entity graph constructed strictly from historical training transactions. Unseen entities in validation and …

A Consolidated Mössbauer Spectrum For Undisturbed Soils From Gusev Crater, Mars, Paulo De Souza

Research outputs 2022 to 2026

Mossbauer analyses from MIMOS II data collected on Mars provided breakthrough insights into iron mineralogy of the planet’s surface. Resulting from limited measurement time, science operations were divided among multiple instruments, restricting the detection of minor Fe-bearing mineral phases (below 5% WSA). MIMOS II records Mössbauer spectra at 10 K intervals, and to enhance signal to noise ratios, spectra from different intervals were combined, when applicable. For instance, temperature variations between 190 K and 270 K in basaltic samples do not significantly impact the spectra, allowing data from all intervals to be integrated. By combining MIMOS II data from various …

Characterization Of Droplet Size And Their Distribution Using Low Operating Conditions In A Rotary Bell Cup Spray-Field Via Shadowgraph, Murad Ali Channa, Mehdi Khiadani, Yasir M. Al-Abdeli

Research outputs 2022 to 2026

This study characterises droplet size and distribution across axial (x/D) and radial (r/D) locations in the spray field of a rotary bell-cup atomizer under low operating conditions. Shadowgraph was used to measure droplet size and distribution at 16 dimensionless locations in both directions. Two low rotational-speed ranges, 3–3.5 krpm (case I) and 8–8.5 krpm (case II), were achieved using shaping-air of 30–100 L/min under turning-air of 50 and 60 L/min, respectively, at a constant flow rate of 0.5 L/min. The Sauter mean droplet diameter ranged from ∼ 45–98 µm in case I and narrowed to ∼ 45–85 µm in case …

Dataset For Integrity Attacks On Time Synchronized Synchrophasor Data, Taylah Griffiths, Mohiuddin Ahmed, Chadni Islam

Research outputs 2022 to 2026

Phasor measurement units, also known as synchrophasors, are a vital component within smart grids to determine the stability of the grid. These devices send synchrophasor data to phasor data concentrators that collate and analyse the data. Recently, synchrophasor communication data has become beneficial for the research community. However, datasets covering cyberattacks on synchrophasor data are not public. Having access to this data would aid in investigating mitigations against cyberattacks. This paper describes a public specialized dataset, known as ECU-PMU-FDI/TSA. The dataset contains synchrophasor communication data for cybersecurity mitigation testing. Three hours of communication data was captured, from a simulated testbed. …

Efficient Charging Scheduling Through Coordination Of Electric Vehicle Platoons And Charging Stations, Liwan Qi, Bochun Wu, Shoubo Li, Yi Gong, Wei Ni

Research outputs 2022 to 2026

This paper focuses on charging allocation in a vehicle-to-infrastructure (V2I) communications-enabled electric vehicle (EV) network with heterogeneous traffic flows, where manned EVs and EV platoons coexist, and each EV platoon may have a different size and travel speed. In such a network, hybrid traffic flows pose significant challenges since platoons with multiple EVs can easily cause severe station overloading and increase the total time cost for charging service, particularly when large platoons occur. To tackle this issue, a centralized approach is proposed to plan charging allocation and optimize the velocities of manned EVs and EV platoons with the assistance of …

Natural Gas Hydrate Production And Co2 Storage Via Clathrate Hydrates: Challenges And Opportunities, Abdirahman Hassan Mohamed, Aliyu Adebayo Sulaimon, Haylay Tsegab, Bhajan Lal, Stefan Iglauer, Muhammad Ali

Research outputs 2022 to 2026

One of the most demanding environmental and economic challenges of this era is that of supplying the increasing global energy demand while reducing and neutralizing the CO2 footprint. In this regard, the provision of a secure and diversified energy supply and the sequestration of CO2 into geological formations are currently of great significance. However, the buoyant nature of CO2 under the temperature and pressure conditions of typical geological sites leads to the risk of CO2 leakage, and thus necessitates long-term monitoring. Therefore, the hydrate-based sequestration of CO2 beneath oceanic sediments has become a desirable alternative to conventional geologic sequestration in …

Thermally-Driven Equiaxation Of Columnar Grains And Α″ Nanoparticles Enabling Isotropic Β-Ti Alloys With Strength–Ductility Synergy Manufactured By Laser Powder Bed Fusion, Lei Qin, Shengfeng Zhou, Jianbo Jin, Huan Yang, Kunmao Li, Cheng Deng, Yujie Yuan, Lai-Chang Zhang

Research outputs 2022 to 2026

The transient thermal cycling characteristics during laser powder bed fusion (LPBF) induce elemental segregation and columnar growth, resulting in significant mechanical anisotropy and strength–ductility trade-off in titanium alloys. In order to break through this bottleneck, this work proposes a strategy of inducing equiaxation of columnar grains through recrystallization and regulating the morphology of the α″ phase (from an acicular shape to nanoparticles) to synergistically optimize the uniformity, strength and ductility of LPBF-fabricated Ti-35Nb-5Cu-xMo (Ti355x, x = 0, 1, 2, 4 wt%) alloys. The results demonstrate that LPBF-fabricated Ti355x alloys display equiaxed/columnar microstructures with significant mechanical anisotropy and strength–ductility trade-off. After …

Switching Configurations For Reconfigurable Battery Packs: A Review, Kenneth Tetteh Akiti, Quoc Viet Phung, Iftekhar Ahmad, Daryoush Habibi

Research outputs 2022 to 2026

Conventional Battery Energy Storage Systems (BESS) are designed with fixed cell topologies, where the electrical connection between cells remains unchanged throughout their life. Although Battery Management Systems (BMS) and conventional cell-balancing techniques are employed to monitor and maintain performance, they often fail to address key challenges such as uneven cell aging, capacity mismatch, and fault isolation that arise especially during the second life of a battery pack. These limitations can result in reduced efficiency, reduced reliability, and shortened battery life. As large-scale battery packs become increasingly common in Electric Vehicles (EVs), smart grids, robotics, and renewable energy systems, the limitations …

Effect Of Preheating Palm Oil Biodiesel Fuel On The Performance And Emissions Of Diesel Engine Common Rail Direct Injection, Nanang Romandoni, Achmad Aminudin, Hari Setiapraja, Bima Randi Wardiasaputra, Kelvin Dwi Wardana, Ahmad Yusril Aminullah, Deni Nur Fauzi, Kholis Nur Faizin, Nur Ihda Farikhatin Nisa

Journal of Mechanical Engineering Science and Technology (JMEST)

Fossil fuel consumption continues to increase while its reserves continue to decrease and produce high emissions that trigger global warming. Therefore, more environmentally friendly alternative energy is needed. Biodiesel is a sustainable choice because it is biodegradable, low in sulphur, and can replace fossil fuels. This study investigates the influence of biodiesel fuel preheating temperature on engine performance, fuel consumption, and emissions in a Common Rail Direct Injection (CRDI) diesel engine. The experimental method was carried out by heating B40 and B50 fuels at temperatures of 40°C to 60°C at intervals of 10 °C. Engine performance was evaluated using a …

Structural And Electrochemical Characterization Of Na2co3/ Γ- Al2o3 Electrodes For Supercapacitor, Wiwin Dwiana, Jeniva Dinta Nanda Fahreza, Anissa Chairani Alfin Nadhira, Fatimatuz Zahra, Erma Surya Yuliana, Muhammad Safwan Abd Aziz, Nandang Mufti

Journal of Mechanical Engineering Science and Technology (JMEST)

The development of electrode materials with suitable structural and surface properties is crucial for improving electrochemical energy storage systems. Gamma alumina (𝛾-Al₂O₃) has attracted considerable interest in electrochemical research due to its unique structural and surface properties. However, its charge-storage capacity is still limited, highlighting the need for structural and compositional modifications to improve its electrochemical performance. In this study, Na₂CO₃ was introduced into 𝛾-Al₂O₃ as a sodium precursor to induce phase modification and enhance the electrochemical activity. The systematic incorporation of Na₂CO₃ also provides an opportunity …

A Systematic Review Of Alkali-Treated Polylactic Acid Biocomposites Relevant To Pineapple Leaf And Water Hyacinth Hybrid Design, Muhammad Rizky Adrianto Subandi, Tri Hartutuk Ningsih, Hanna Zakiyya

Journal of Mechanical Engineering Science and Technology (JMEST)

The increasing demand for sustainable materials has accelerated the development of biodegradable polymer composites. Polylactic acid (PLA)-based natural fiber composites have attracted significant attention due to their renewable characteristics; however, their performance remains limited by weak fiber–matrix compatibility, moisture sensitivity, and inconsistent interfacial behavior. Alkali treatment has been widely applied to modify lignocellulosic fibers by removing non-cellulosic components and improving surface characteristics, although its effectiveness remains dependent on treatment conditions and fiber properties. This systematic review evaluates the influence of alkali treatment on PLA-based natural fiber composites and assesses the available evidence supporting future pineapple leaf fiber (PALF) and water …

Ncf Sensor Coated With Cofe1.96la0.04o4/Lafeo3 Heterostructures For Room-Temperature Detection Of Liquefied Petroleum Gas Concentration, Ziqiang Liu, Fujian Tang, Yufang He, Jie Huang

Electrical and Computer Engineering Faculty Research & Creative Works

Liquefied petroleum gas (LPG) is a highly flammable fuel widely used for cooking, heating and transportation, making real-time leak detection essential for preventing fire, explosion, and suffocation hazards. In this study, a room-temperature no-core fiber (NCF) sensor coated with CoFe_1.96La_0.04O₄/LaFeO₃ heterostructures was developed for LPG detection. The heterostructures were characterized using XRD, Raman spectroscopy, SEM, TEM, XPS, PL spectroscopy, and UV–vis spectroscopy. Experimental results showed that La incorporation and heterostructure formation refined the particles size, improved surface accessibility, and modulated the electronic structure and band gap, thereby enhancing LPG adsorption, carrier redistribution, and …

Lithium Titanate-Functionalized Mixed Matrix Polymer Membrane For High-Performance Osmotic Energy Conversion, Rockson Kwesi Tonnah, Yasaman Boroumand, Milad Razbin, Mostafa Vahdani, Amir Razmjou, Mohsen Asadnia

Research outputs 2022 to 2026

Reverse electrodialysis (RED) offers a promising route to harvest osmotic energy from salinity gradients, yet practical implementation is hindered by the lack of scalable, high-performance ion-selective membranes that combine efficient ion transport with mechanical robustness and environmental sustainability. Here, we report a mixed matrix membrane composed of polyethersulfone (PES), polyvinylpyrrolidone (PVP), and lithium titanium oxide (Li₂TiO₃, LTO) that addresses these challenges through biomimetic ion transport channels. The strategic integration of LTO nanoparticles introduces ion-exchange sites and oxygen-rich PES ether linkages to create preferential cation transport pathways that mimic biological ion channels. This mixed matrix design delivers over three-fold cation conduction, …

Crushing Behavior Of Crash Boxes With Hybrid Honeycomb–Auxetic Fillers: Effects Of Architecture, Geometry, And Material Behaviors, A. Yudhanto, A. Jusuf, L. D. Lumanauw, M. Falyanzhuri, A. Afdhal

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Additively manufactured (AM) fillers provide new opportunities to tailor the crushing response and energy absorption of thin-walled metallic crash boxes. This study presents a combined experimental–numerical investigation of hexagonal AA6063-T4 crash boxes filled with architected structures, i.e., honeycomb, auxetic-reentrant, and hybrid honeycomb–auxetic topology. The hybrid configuration, which integrates cells with positive and negative Poisson's ratios, triggers coordinated mechanisms (that enhance folding behavior and collapse control) unattainable via single topology. Quasi-static axial compression tests were conducted to characterize force–displacement curves, deformation mechanisms, energy absorption (EA), and specific energy absorption (SEA). Finite element models developed in the explicit solver LS-DYNA were employed …

A Review Of Gallium And Germanium Recovery From Industrial Solid Residues, Ernest V. Oteng, Marthias Silwamba, Lana Alagha, Alex Luyima

Mining Engineering Faculty Research & Creative Works

The global demand for critical elements such as gallium (Ga) and germanium (Ge), and the shift toward circular mining has accelerated the development of new extraction and recovery processing these metals from industrial solid residues. This transition is driven by a substantial surge in demand for advanced technologies and the depletion of primary ore. Consequently, industrial solid residues, particularly zinc processing residues, smelter slags, flue dusts, and coal fly ash, are emerging as viable alternative sources. These residues incorporate Ga and Ge through isomorphic substitution in phases such as ferrites, silicates, and glassy aluminosilicates, and are enriched by industrial processes, …

Prototyping Pinhole Collimators For Imaging Irradiated Nuclear Fuel, Narrie Loftus, Ashish Avachat, Joseph T. Graham, Ryan Fronk, Jordan Fox, Rachel Shaffer, Seth Kilby

Nuclear Engineering and Radiation Science Faculty Research & Creative Works

Collimator design and fabrication is a costly and time-consuming process that does not lend itself to simplified testing. This manuscript presents an approach for the rapid prototyping of sub-millimeter pinhole collimators for nuclear fuel applications using low-melting-point, high-mass-density materials. Multiple collimators were fabricated to test collimator parameters and properties, including acceptance angle, aperture diameter, and magnification. The fabricated collimators were paired with a position-sensitive CdZnTe detector to determine the detector response convolved with the collimator. Preliminary analysis using these collimators showed that they were effective in collimating multi-energy gamma laboratory sources. Radiography was performed to confirm magnification and determine coarse …

Lrq-Solver: A Transformer-Based Neural Operator For Fast And Accurate Solving Of Large-Scale 3d Pdes, Peijian Zeng, Guan Wang, Haohao Gu, Xiaoguang Hu, Tiezhu Gao, Zhuowei Wang, Aimin Yang, Xiaoyu Song

Electrical and Computer Engineering Faculty Publications and Presentations

Solving large-scale PDEs on complex three-dimensional geometries remains a central challenge in scientific and engineering computing, often due to expensive pre-processing stages and high computational overhead. We present Low-Rank Query-based PDE Solver (LRQ-Solver), a physics-integrated deep learning framework for efficient CAE simulations of complex three-dimensional geometries in CAD-driven design analysis. Built upon the Parameter-Conditioned Lagrangian Modeling (PCLM) that embeds physical consistency into the learning process and the Low-Rank Query Attention (LR-QA) module that reduces attention complexity from O(N2) to O(NC2+C3) via covariance decomposition, LRQ-Solver supports multi-configuration analysis within iterative design workflows. On two benchmark datasets, it achieves a 28.6% error …

Mind The Hazard: Modeling And Interpreting Comfort With Personalized Sensing, Yufei Zhang, Matteo Favero, Patrick Chwalek, Sailin Zhong, Denis Lalanne, A. Joseph Paradiso, Clayton Miller, Andrew Sonta

Research Collection College of Integrative Studies

Recent advances in personalized sensing and comfort feedback have spurred the development of data-driven comfort models tailored to individual needs. However, because current models treat sequential comfort feedback independently, they are subject to unstable predictions and limited interpretability, hindering their deployment in building management. This study introduces a dynamic modeling framework that utilizes a Neural Ordinary Differential Equations-based Continuous-time Markov Chain to model the transitions in comfort states over time. Our modeling approach, developed through a field study utilizing smart glasses and mobile app feedback, tracks occupants' comfort transitions across daily activities and contexts. The results demonstrate that this model …

Machine Learning Local Potentials For Accelerated Electron-Phonon Interactions Calculations Within The Projector Augmented-Wave Framework, Yi Xia

Mechanical and Materials Engineering Faculty Publications and Presentations

Electron–phonon interactions govern carrier dynamics, transport, and many optical and quantum phenomena in solids, but finite-displacement calculations within the projector augmented-wave (PAW) framework require up to 6N self-consistent supercell calculations for an N-atom system, making them costly for large, low-symmetry, and disordered materials. We introduce MLLocP, a machine learning (ML) strategy that learns the self-consistent local potential (LocP) on real-space grids and supplies its displacement derivatives to the evaluation of all-electron PAW electron–phonon matrix elements. Analysis of the PAW decomposition identifies the local-potential contribution as a natural target for machine learning, while the remaining PAW quantities are retained within the …

Electrochemical Behavior Of Passive Film On Electron Beam Powder Bed Fusion Fabricated Ti-6al-4v Alloy Under Uniaxial Tensile Stress, Hongyu Zheng, Mengdi Yan, Yun Bai, Qian Wang, Lai-Chang Zhang, Jin Xu, Hao Wang, Yingjie Ma, Shujun Li, Rui Yang

Research outputs 2022 to 2026

As medical titanium alloys inevitably undergo synergistic actions of stress and corrosion in human body, a comprehensive investigation of their relevant properties is deemed essential for ensuring their safe application. This work investigates the uniaxial tensile stress electrochemical behaviour of Ti-6Al-4V alloy fabricated by electron beam powder bed fusion under simulated implantation conditions. The results indicate that tensile stress facilitates rapid formation of a dense passive film, which contains a high proportion of high-valent oxides. As the passivation process proceeds, applied stress promotes more defects accumulation in the passive film, compromising its barrier function and reducing corrosion resistance. Under sustained …