Engineering topics

Zhang, Hang

Publications and source records attributed to Zhang, Hang.

5 records

DOE OSTI2024

Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites

2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed as a stabilization mechanism, yet an effective characterization of relevant modes of halide diffusion in 2D perovskites is nascent. In light of this knowledge gap, molecular dynamics simulations with enhanced sampling and experimental validation to systematically characterize how ligand chemistry in seven (R-NH 3 ) 2 PbI 4 systems impacts halide diffusion, particularly in the out-of-plane direction is combined. It is found that increasing stiffness and length of ligands generally inhibits ion transport, while increasing ligand polarization generally enhances it. Structural and energetic analyses of the migration pathways provide quantitative explanations for these trends, which reflect aspects of the disorder of the organic layer. Overall, this mechanistic analysis greatly enhances the current understanding of halide migration in 2D hybrid organic–inorganic perovskites and yields insights that can inform the design of future passivation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Development of ASTM International D8405—Standard Test Method for Evaluating PM 2.5 Sensors or Sensor Systems Used in Indoor Applications

Sensors and sensor systems for monitoring fine particles with aerodynamic diameters smaller than 2.5 µm can provide real-time feedback on indoor air quality and thus can help guide actions to manage indoor air pollutant concentrations. Standardized verification of the performance and accuracy of sensors and sensor systems is crucial for predicting the efficacy of such monitoring. A new ASTM International standard test method (ASTM D8405) was created for this need and is the most exacting laboratory protocol published to date for evaluating indoor air quality sensors and sensor systems measuring particles smaller than 2.5 µm in diameter. ASTM D8405 subjects sensors and sensor systems to five test phases: (1) an initial particle concentration ramp; (2) exposure to various temperature and humidity conditions; (3) exposure to interfering particles; (4) temperature cycling; and (5) a final particle concentration ramp to assess drift. This paper discusses the development of the standard test method, key aspects of the testing process, example evaluation results, and a comparison of this standard test method against peer evaluation protocols.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Molecular Dynamics Investigation of Nanoscale Hydrophobicity of Polymer Surfaces: What Makes Water Wet?

The wettability of a polymer surface–related to its hydrophobicity or tendency to repel water–can be crucial for determining its utility, such as for a coating or a purification membrane. While wettability is commonly associated with the macroscopic measurement of a contact angle between surface, water, and air, the molecular physics that underlie these macroscopic observations are not fully known, and anticipating relative behavior of different polymers is challenging. To address this gap in molecular-level understanding, we use molecular dynamics simulations to investigate and contrast interactions of water with six chemically distinct polymers: polytetrafluoroethylene, polyethylene, polyvinyl chloride, poly(methyl methacrylate), Nylon 66, and polyvinyl alcohol. We show that several prospective quantitative metrics for hydrophobicity agree well with experimental contact angles. Moreover, the behavior of water in proximity to these polymer surfaces can be distinguished with analysis of interfacial water dynamics, extent of hydrogen bonding, and molecular orientation–even when macroscopic measures of hydrophobicity are similar. The predominant factor dictating wettability is found to be the extent of hydrogen bonding between polymer and water, but the precise manifestation of hydrogen bonding and its impact on surface-water structure varies. In the absence of hydrogen bonding, other molecular interactions and polymer mechanics control hydrophobic ordering. Furthermore, these results provide new insights into how polymer chemistry specifically impacts water-polymer interactions and translates to surface hydrophobicity. Such factors may facilitate the design or processing of polymer surfaces to achieve targeted wetting behavior, and presented analyses can be useful in studying the interfacial physics of other systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Voltage Stability Constrained Moving Target Defense Against Net Load Redistribution Attacks

Moving target defense (MTD) using distributed flexible AC transmission system (D-FACTS) devices is a promising defense strategy to detect stealthy false data injection (FDI) attacks against the power system state estimation. However, all existing studies myopically perturb the reactance of D-FACTS lines without considering the system voltage stability. In this paper, we first illustrate voltage instability induced by MTDs in a three-bus system. To address this issue, we further propose a novel MTD framework that explicitly considers system voltage stability by using continuation power flow and voltage stability indices. We mathematically derive the sensitivity matrix of voltage stability index to line impedance, on which an optimization problem for maximizing voltage stability index is formulated. This framework is tested on the IEEE 14-bus and the IEEE 118-bus transmission systems, in which net load redistribution attacks are launched by sophisticated attackers. Here, the simulation results show the effectiveness of the proposed framework in circumventing the voltage instability while maintaining the detection effectiveness of MTD. We conduct case studies with and without the proposed framework under different MTD planning and operational methods. The impacts of the proposed two methods on attack detection effectiveness and system economic metrics are also revealed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Load Margin Constrained Moving Target Defense against False Data Injection Attacks

Cyber physical security of power systems with high penetration of renewable generation has attracted attention from researchers. One critical issue is that cyber-physical attacks, disguised as uncertain renewable generation, can target conventional power system state estimation (SE). Moving target defense (MTD) is a promising defense strategy to detect stealthy false data injection (FDI) attacks against SE. However, all existing studies myopically perturb the reactance of transmission lines equipped with distributed flexible AC transmission system (D-FACTS) devices without adequately considering the system voltage stability. Exacerbated by the renewable generation uncertainty, existing MTD may cause voltage instability when the power grid is under stress. To address this issue, we propose a novel MTD framework that explicitly considers system voltage stability by using continuation power flow. We utilize the sensitivity matrix of power injection to line impedance, on which an optimization problem for maximizing load margin is formulated. This framework is validated on the IEEE 14-bus system and the IEEE 118-bus system, in which net load redistribution attacks are launched by sophisticated attackers. Steady-state simulations and dynamic simulations on PSS/E show the effectiveness of the proposed framework in circumventing the voltage instability while maintaining the detection effectiveness of MTD. The impact of the proposed method on attack detection effectiveness is also revealed.

Zhang, Hang↗