Results for “interface mechanics” — Page 29

NASA NTRSDate not supplied

The Measurement of Shear Strain in Impact Ice Using a Modified Lap Joint Test and Digital Image Correlation

The results of ice adhesion testing efforts are typically quantified using the maximum shear stress sustained at the interface before the ice detaches from the underlying substrate. While this singular value can be useful for understanding the role icing wind tunnel conditions and substrate surface properties have on the strength of the ice-substrate interface, it does not capture the mechanical behavior of the ice during an experiment. To better understand the deformation of the ice sample and ice-substrate interface during testing, digital image correlation was applied to the lap-joint shear test methodology utilized at NASA Glenn Research Center. Preparation of the sample surface for digital image correlation, initial parsing of the correlation data, and the time synchronization of data from multiple sources are discussed. Using the directional components of deformation measured via digital image correlation, a novel approach to calculating the interfacial shear strain is presented. Results from analyzing several impact ice samples consistently reveals a non-linear response in the ice during mechanical loading which occurs prior to sample delamination, a behavior not observable in the force and displacement data gathered from the testing apparatus. Both the full and small angle forms of the engineering shear strain are evaluated, with the full shear strain form providing considerably lower noise levels. The transition of sample response from near the interface to the bulk behavior of the ice under shear loading is discussed with results from several samples being presented.

: Ice Adhesion, Digital Image Correlation, Experim↗

DOE OSTI2026

Effects of Cooling Rates on Self-Reinforced Polyethylene Composites via Multiscale Experimental Characterizations

This study investigates cooling rate effects on self-reinforced polyethylene composites (PE-SRCs), focusing on macroscopic thermal and mechanical properties, and micro- to sub-micron morphologies. Unlike conventional fiber-reinforced composites (e.g., carbon and glass fiber based), cooling rate effects on SRCs remain less studied. PE-SRCs were fabricated from ultrahigh molecular weight polyethylene (UHMWPE) fabric and high-density polyethylene (HDPE) matrix with cooling rates from 0.76°C/min to 425°C/min. Tensile properties, including modulus (~9.5 GPa), strength (~360 MPa), and ultimate elongation (~6%), showed no significant cooling rate dependence. However, thermal analysis revealed melting temperature of HDPE matrix decreased from ~130°C to ~126.5°C with total crystallinity reducing from 84% to 75%. Wide-angle X-ray scattering confirmed decreasing crystallinity but at lower values (67%–59%), as thermal analysis might overestimate crystallinity. Small-angle X-ray scattering showed long period decreased from 24.3 to 17.4 nm, attributed to thinner lamellae and closer packing, suggesting limited crystal growth and faster nucleation. While cooling rates alter melting point and crystalline structures of HDPE matrix, these changes do not translate to substantial impact on macroscale mechanical properties of PE-SRCs. This insensitivity might be related to low interfacial shear strength at PE/PE interfaces, enabling process optimization while maintaining mechanical performance.

Cooling rate↗

NASA NTRS1973

Design study of RL10 derivatives. Volume 3, part 1: Preliminary interface control document

The Interface Control Document contains engine information necessary for installation of the baseline RL10 Derivative engines in the Space Tug vehicle. The ICD presents a description of the baseline engines and their operating characteristics, mass and load characteristics, and environmental criteria. The document defines the engine/vehicle mechanical, electrical, fluid and pneumatic interface requirements.

Adams, A.↗

NASA NTRS2001

Using Dynamic Interface Modeling and Simulation to Develop a Launch and Recovery Flight Simulation for a UH-60A Blackhawk

Joint Shipboard Helicopter Integration Process (JSHIP) is a Joint Test and Evaluation (JT&E) program sponsored by the Office of the Secretary of Defense (OSD). Under the JSHDP program is a simulation effort referred to as the Dynamic Interface Modeling and Simulation System (DIMSS). The purpose of DIMSS is to develop and test the processes and mechanisms that facilitate ship-helicopter interface testing via man-in-the-loop ground-based flight simulators. Specifically, the DIMSS charter is to develop an accredited process for using a flight simulator to determine the wind-over-the-deck (WOD) launch and recovery flight envelope for the UH-60A ship/helicopter combination. DIMSS is a collaborative effort between the NASA Ames Research Center and OSD. OSD determines the T&E and warfighter training requirements, provides the programmatics and dynamic interface T&E experience, and conducts ship/aircraft interface tests for validating the simulation. NASA provides the research and development element, simulation facility, and simulation technical experience. This paper will highlight the benefits of the NASA/JSHIP collaboration and detail achievements of the project in terms of modeling and simulation. The Vertical Motion Simulator (VMS) at NASA Ames Research Center offers the capability to simulate a wide range of simulation cueing configurations, which include visual, aural, and body-force cueing devices. The system flexibility enables switching configurations io allow back-to-back evaluation and comparison of different levels of cueing fidelity in determining minimum training requirements. The investigation required development and integration of several major simulation system at the VMS. A new UH-60A BlackHawk interchangeable cab that provides an out-the-window (OTW) field-of-view (FOV) of 220 degrees in azimuth and 70 degrees in elevation was built. Modeling efforts involved integrating Computational Fluid Dynamics (CFD) generated data of an LHA ship airwake and integrating a real-time ship motion model developed based on a batch model from Naval Surface Warfare Center. Engineering development and integration of a three degrees-of-freedom (DOF) dynamic seat to simulate high frequency rotor-dynamics dependent motion cues for use in conjunction with the large motion system was accomplished. The development of an LHA visual model in several different levels of resolution and an aural cueing system in which three separate fidelity levels could be selected were developed. VMS also integrated a PC-based E&S simFUSION system to investigate cost effective IG alternatives. The DIMSS project consists of three phases that follow an approved Validation, Verification and accreditation (VV&A) process. The first phase will support the accreditation of the individual subsystems and models. The second will follow the verification and validation of the integrated subsystems and models, and will address fidelity requirements of the integrated models and subsystems. The third and final phase will allow the verification and validation of the full system integration. This VV&A process will address the utility of the simulated WOD launch and recovery envelope. Simulations supporting the first two stages have been completed and the data is currently being reviewed and analyzed.

Sweeney, Christopher↗

NASA NTRS1980

Mechanical properties of Al-mica particulate composite material

Cast aluminum alloy mica particle composites of varying mica content were tested in tension, compression, and impact. With 2.2 percent mica (size range 40-120 microns) the tensile and compression strengths of aluminum alloy decreased by 56 and 22 percent, respectively. The corresponding decreases in percent elongation and percent reduction are 49 and 39 percent. Previous work shows that despite this decrease in strength the composite with 2.5 percent mica and having an UTS of 15 kg/sq mm and compression strength of 28 kg/sq mm performs well as a bearing material under severe running conditions. The differences in strength characteristics of cast aluminum-mica particle composites between tension and compression suggests that, as in cast iron, expansion of voids at the matrix particle interface may be the guiding mechanism of the deformation. SEM studies show that on the tensile fractured specimen surface, there are large voids at the particle matrix interface.

Nath, D.↗

DOE OSTI2025

Revealing Phase Heterogeneity in Vertically Aligned Nanocomposites via Plan-View Electron Energy Loss Spectroscopy

Hydrogen utilization in clean energy technologies is challenged by limited storage and transport within materials, owing to the complex hydrogen kinetics at interfaces [1]. Understanding these interfacial mechanisms at the nanoscale is crucial for developing improved materials for hydrogen applications, particularly proton-conducting fuel cells (PCFCs). Vertically aligned nanocomposites (VANs) grown by pulsed laser deposition (PLD) offer a unique platform for investigating the interfacial effects on hydrogen transport due to their well-defined interfaces parallel to the direction of charge transport [2-4]. To investigate hydrogen transport, the two phases within the VANs were chosen as BaZr 0.9 Y 0.1 O 3-x (BZY), a known proton conductor, and Pr 0.1 Ce 0.9 O 2-x (PCO), a mixed ionic-electronic conductor [5]. This PCO-BZY VANs architecture allows the investigation of how the interface between a proton conductor and a mixed conductor influences hydrogen transport. However, because of the small size of hydrogen, it is difficult to discern the nature of its interactions with interfaces from bulk measurements at the macroscale, thus necessitating nanoscale measurements [6]. Electron energy loss spectroscopy (EELS) allows for nanometer-resolution probing of the local atomic structure and chemistry at the BZY/PCO interface. In this study, plan-view analysis of PCO-BZY VANs films was employed to characterize the structure and phase distribution of the VANs and investigate the interface between the nanostructures. The films were imaged using scanning electron microscopy (SEM) in the Hitachi S-4800 SEM, collecting secondary electron images using mixed upper and lower detectors. Then, plan-view transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) EELS were employed using a JEOL ARM300 microscope operated at 300kV with a Gatan K3 GIF Continuum detector to study the distribution of the BZY and PCO phases through the film. As a result, spectrum images were acquired at a dispersion of 0.18eV per channel and denoised afterward by principal component analysis (PCA) method.

Griffin, Elizabeth [Northwestern University, Evans↗

NASA NTRS1982

Integrated Application of Active Controls (IAAC) technology to an advanced subsonic transport project. ACT/Control/Guidance System study, volume 1

The active control technology (ACT) control/guidance system task of the integrated application of active controls (IAAC) technology project within the NASA energy efficient transport program was documented. The air traffic environment of navigation and air traffic control systems and procedures were extrapolated. An approach to listing flight functions which will be performed by systems and crew of an ACT configured airplane of the 1990s, and a determination of function criticalities to safety of flight, are the basis of candidate integrated ACT/Control/Guidance System architecture. The system mechanizes five active control functions: pitch augmented stability, angle of attack limiting, lateral/directional augmented stability, gust load alleviation, and maneuver load control. The scope and requirements of a program for simulating the integrated ACT avionics and flight deck system, with pilot in the loop, are defined, system and crew interface elements are simulated, and mechanization is recommended. Relationships between system design and crew roles and procedures are evaluated.

Source record↗

DOE OSTI2021

Numerical and experimental evaluation of mechanical performance of the multifunctional energy storage composites

This work presents numerical simulation methods to model the mechanical behavior of the multifunctional energy storage composites (MESCs), which consist of a stack of multiple thin battery layers reinforced with through-the-hole polymer rivets and embedded inside carbon fiber composite laminates. MESC has been demonstrated through earlier experiments on its exceptional behavior as a structural element as well as a battery. However, the inherent complex infrastructure of the MESC design has created significant challenges in simulation and modeling. A novel homogenization technique was adopted to characterize the multi-layer properties of battery material using physics-based constitutive equations combined with nonlinear deformation theories to handle the interface between the battery layers. Second, mechanical damage and failure modes among battery materials, polymer reinforcements, and carbon fiber-polymer interfaces were characterized through appropriate models and experiments. The model of MESCs has been implemented in a commercial finite element code in ABAQUS. A comparison of structural response and failure modes from numerical simulations and experimental tests are presented. The results of the study showed that the predictions of elastic and damage responses of MESCs at various loading conditions agreed well with the experimental data. © 2021

Materials Science↗

DOE OSTI2023

TeraChem protocol buffers ( TCPB ): Accelerating QM and QM/MM simulations with a client–server model

The routine use of electronic structures in many chemical simulation applications calls for efficient and easy ways to access electronic structure programs. Here, we describe how the graphics processing unit (GPU) accelerated electronic structure program TeraChem can be set up as an electronic structure server, to be easily accessed by third-party client programs. We exploit Google’s protocol buffer framework for data serialization and communication. The client interface, called TeraChem protocol buffers (TCPB), has been designed for ease of use and compatibility with multiple programming languages, such as C++, Fortran, and Python. To demonstrate the ease of coupling third-party programs with electronic structures using TCPB, we have incorporated the TCPB client into Amber for quantum mechanics/molecular mechanics (QM/MM) simulations. The TCPB interface saves time with GPU initialization and I/O operations, achieving a speedup of more than 2× compared to a prior file-based implementation for a QM region with ~250 basis functions. We demonstrate the practical application of TCPB by computing the free energy profile of p-hydroxybenzylidene-2,3-dimethylimidazolinone (p-HBDI - )—a model chromophore in green fluorescent proteins—on the first excited singlet state using Hamiltonian replica exchange for enhanced sampling. All calculations in this work have been performed with the non-commercial freely-available version of TeraChem, which is sufficient for many QM region sizes in common use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A curvature-based mechanism for the spontaneous emission of electromagnetic radiation at curved plasma–vacuum interfaces

In this work, we derive from first principles the dispersion relation for electromagnetic radiation that is spontaneously emitted at a 2D curved plasma–vacuum interface in the absence of both background and external electric and magnetic fields. This plasma geometry is motivated by plasmas generated through hypervelocity impact projectiles—an area that is of importance to satellite safety in the aerospace community, and may be of importance for the developing study of projectile impact-driven inertial confinement fusion. We find spontaneous radiation occurs when thermal surface waves propagate along the edge of a circular plasma, with a frequency lower than the plasma frequency and spatial decay proportional to 1/r. This is distinct from more well-known mechanisms of radiation, in which the radiation frequency is greater than or equal to the plasma frequency. This theory is validated against 2D, electromagnetic particle-in-cell simulations and shows reasonable agreement. Finally, we discuss the effects of plasma geometry and attribute the radiation generation mechanism to the acceleration of charged surface waves as they traverse azimuthally along a curved path.

Lau, Raymond (ORCID:0000000299318101)↗

DOE OSTI2025

Status of the FCC-ee interaction region design

This paper presents a comprehensive overview of the Machine Detector Interface (MDI) design developed for the FCC-ee Feasibility Study. It highlights novel studies related to the lightweight interaction region, including a mechanical model of the vacuum chambers, integration of the vertex detector, the MDI alignment system, and assessments of machine-induced backgrounds. The small beam pipe radius and thickness, as well as the high power to be dissipated, require state-of-the-art mechanical design. The integration of all mechanical elements and detectors is challenging, necessitating careful studies to allow fulfilling conflicting requirements. The optimisation of the machine detector interface against formidable backgrounds is presented.

Beam-induced backgrounds↗

NASA NTRS2016

Investigation of Damping Physics and CFD Tool Validation for Simulation of Baffled Tanks at Variable Slosh Amplitude

To meet the flight control damping requirement, baffles of various configurations have been devised to increase the natural viscous damping and decrease the magnitude of the slosh forces and torques. In the design of slosh baffles, the most widely used damping equation is the one derived by Miles, which is based on the experiments of Keulegan and Carpenter. This equation has been used in predicting damping of the baffled tanks in different diameters ranging from 12 to 112 inches. The analytical expression of Miles equation is easy to use, especially in the design of complex baffle system. Previous investigations revealed that some experiments had shown good agreements with the prediction method of Miles, whereas other experiments have shown significant deviations. For example, damping from Miles equation differs from experimental measurements by as much as 100 percent over a range of tank diameters from 12 to 112 inches, oscillation amplitudes from 0.1 to 1.5 baffle widths, and baffle depths of 0.3 to 0.5 tank radius. Previously, much of this difference has been attributed to experimental scatter. A systematical study is needed to understand the damping physics of baffled tanks, to identify the difference between Miles equation and experimental measurement, and to develop new semi-empirical relations to better represent the real damping physics. The approach of this study is to use CFD technology to shed light on the damping mechanisms of a baffled tank. First, a 1-D Navier-Stokes equation representing different length scales and time scales in the baffle damping physics is developed and analyzed. A well validated CFD solver, developed at NASA MSFC, Loci-STREAM-VOF, is applied to study vorticity field around the baffle and around the fluid interface to highlight the dissipation mechanisms at different slosh amplitudes. Previous measurement data are then used to validate the CFD damping results. The study found several critical parameters controlling fluid damping from a baffle: local slosh amplitude to baffle thickness (A/t), surface liquid depth to tank radius (h/R), local slosh amplitude to baffle width (A/W); and non-dimensional slosh frequency. The simulation highlights three significant damping regimes where different mechanisms dominate. The study proves that the previously found discrepancies between Miles equation and experimental measurement are not due to the measurement scatter, but rather due to different damping mechanisms at various slosh amplitudes. The limitations on the use of Miles equation are discussed based on the flow regime.

Yang, H. Q.↗

NASA NTRS1990

Influence of interfacial shear strength on the mechanical properties of SiC fiber reinforced reaction-bonded silicon nitride matrix composites

The influence of fiber/matrix interface microstructure and interfacial shear strength on the mechanical properties of a fiber-reinforced ceramic composite was evaluated. The composite consisted of approximately 30 vol percent uniaxially aligned 142 microns diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix (SiC/RBSN). The interface microstructure was varied by controlling the composite fabrication conditions and by heat treating the composite in an oxidizing environment. Interfacial shear strength was determined by the matrix crack spacing method. The results of microstructural examination indicate that the carbon-rich coating provided with the as-produced SiC fibers was stable in composites fabricated at 1200 C in a nitrogen or in a nitrogen plus 4 percent hydrogen mixture for 40 hr. However this coating degraded in composites fabricated at 1350 C in N2 + 4 percent H2 for 40 and 72 hr and also in composites heat treated in an oxidizing environment at 600 C for 100 hr after fabrication at 1200 C in a nitrogen. It was determined that degradation occurred by carbon removal which in turn had a strong influence on interfacial shear strength and other mechanical properties. Specifically, as the carbon coating was removed, the composite interfacial shear strength, primary elastic modulus, first matrix cracking stress, and ultimate tensile strength decreased, but the first matrix cracking strain remained nearly the same.

Bhatt, Ramakrishna T.↗

NASA NTRS2016

Investigation of Damping Physics and CFD Tool Validation for Simulation of Baffled Tanks at Variable Slosh Amplitude

Determination of slosh damping is a very challenging task as there is no analytical solution. The damping physics involves the vorticity dissipation which requires the full solution of the nonlinear Navier-Stokes equations. As a result, previous investigations were mainly carried out by extensive experiments. A systematical study is needed to understand the damping physics of baffled tanks, to identify the difference between the empirical Miles equation and experimental measurements, and to develop new semi-empirical relations to better represent the real damping physics. The approach of this study is to use Computational Fluid Dynamics (CFD) technology to shed light on the damping mechanisms of a baffled tank. First, a 1-D Navier-Stokes equation representing different length scales and time scales in the baffle damping physics is developed and analyzed. Loci-STREAM-VOF, a well validated CFD solver developed at NASA MSFC, is applied to study the vorticity field around a baffle and around the fluid-gas interface to highlight the dissipation mechanisms at different slosh amplitudes. Previous measurement data is then used to validate the CFD damping results. The study found several critical parameters controlling fluid damping from a baffle: local slosh amplitude to baffle thickness (A/t), surface liquid depth to tank radius (d/R), local slosh amplitude to baffle width (A/W); and non-dimensional slosh frequency. The simulation highlights three significant damping regimes where different mechanisms dominate. The study proves that the previously found discrepancies between Miles equation and experimental measurement are not due to the measurement scatter, but rather due to different damping mechanisms at various slosh amplitudes. The limitations on the use of Miles equation are discussed based on the flow regime.

Yang, H. Q.↗

NASA NTRS2018

Validity of Miles Equation in Predicting Propellant Slosh Damping in Baffled Tanks at Variable Slosh Amplitude

Determination of slosh damping is a very challenging task as there is no analytical solution. The damping physics involves the vorticity dissipation which requires the full solution of the nonlinear Navier-Stokes equations. As a result, previous investigations were mainly carried out by extensive experiments. A systematical study is needed to understand the damping physics of baffled tanks, to identify the difference between the empirical Miles equation and experimental measurements, and to develop new semi-empirical relations to better represent the real damping physics. The approach of this study is to use Computational Fluid Dynamics (CFD) technology to shed light on the damping mechanisms of a baffled tank. First, a 1-D Navier-Stokes equation representing different length scales and time scales in the baffle damping physics is developed and analyzed. Loci-STREAM-VOF, a well validated CFD solver developed at NASA MSFC, is applied to study the vorticity field around a baffle and around the fluid-gas interface to highlight the dissipation mechanisms at different slosh amplitudes. Previous measurement data is then used to validate the CFD damping results. The study found several critical parameters controlling fluid damping from a baffle: local slosh amplitude to baffle thickness (A/t), surface liquid depth to tank radius (d/R), local slosh amplitude to baffle width (A/W); and non-dimensional slosh frequency. The simulation highlights three significant damping regimes where different mechanisms dominate. The study proves that the previously found discrepancies between Miles equation and experimental measurement are not due to the measurement scatter, but rather due to different damping mechanisms at various slosh amplitudes. The limitations on the use of Miles equation are discussed based on the flow regime.

Yang, H. Q.↗

NASA NTRS2018

Validity of Miles Equation in Predicting Propellant Slosh Damping in Baffled Tanks at Variable Slosh Amplitude

Determination of slosh damping is a very challenging task as there is no analytical solution. The damping physics involves the vorticity dissipation which requires the full solution of the nonlinear Navier-Stokes equations. As a result, previous investigations were mainly carried out by extensive experiments. A systematical study is needed to understand the damping physics of baffled tanks, to identify the difference between the empirical Miles equation and experimental measurements, and to develop new semi-empirical relations to better represent the real damping physics. The approach of this study is to use Computational Fluid Dynamics (CFD) technology to shed light on the damping mechanisms of a baffled tank. First, a 1-D Navier-Stokes equation representing different length scales and time scales in the baffle damping physics is developed and analyzed. Loci-STREAM-VOF, a well validated CFD solver developed at NASA MSFC, is applied to study the vorticity field around a baffle and around the fluid-gas interface to highlight the dissipation mechanisms at different slosh amplitudes. Previous measurement data is then used to validate the CFD damping results. The study found several critical parameters controlling fluid damping from a baffle: local slosh amplitude to baffle thickness (A/t), surface liquid depth to tank radius (d/R), local slosh amplitude to baffle width (A/W); and non-dimensional slosh frequency. The simulation highlights three significant damping regimes where different mechanisms dominate. The study proves that the previously found discrepancies between Miles equation and experimental measurement are not due to the measurement scatter, but rather due to different damping mechanisms at various slosh amplitudes. The limitations on the use of Miles equation are discussed based on the flow regime.

Yang, H. Q.↗

DOE OSTI2025

Probing the pH Effect on Boehmite Particles in Water Using Vacuum Ultraviolet Single-Photon Ionization Mass Spectrometry

Boehmite has been widely used in theoretical research and industry, especially for hazardous material processing. For the liquid-phase treating process, the interfacial properties of boehmite are believed to be affected by pH conditions, which change its physicochemical behavior. However, molecular-level detection on cluster ions is challenging when using bulk approaches. Herein we employ in situ vacuum ultraviolet single-photon ionization mass spectrometry (VUV SPI-MS) coupled with a vacuum-compatible microreactor system for analysis at the liquid–vacuum interface (SALVI) to investigate the solute molecular composition of boehmite under different pH conditions for the first time. The mass spectral results show that more complex clustering of solute molecules exists at the solid–liquid (s–l) interface than conventionally perceived in a “simple” aqueous solution. Besides solute ions, such as boehmite molecules and fragments, the composition and appearance energies of these newly discovered solvated cluster ions are determined by VUV SPI-MS in different pH solutions. We offer new results for the pH-dependent effect of boehmite and provide insights into a more detailed solvation mechanism at the s–l interface. By comparing the key products under different pH conditions, fundamental understanding of boehmite dissolution is revealed to assist the engineering design of waste processing and storage solutions.

SALVI↗

DOE OSTI2020

Interfacial Electromechanics Predicts Phase Behavior of 2D Hybrid Halide Perovskites

Quasi-two-dimensional (2D) mixed-cation hybrid halide perovskites (A' 2 A N–1 M N X 3N+1 ; A' = large organic molecule with cationic group, A = [Cs + , CH 3 NH 3 + , HC(NH 2 ) 2 + ], M = [Pb, Sn, Ge], X = [I – , Br – , Cl – ]) have rapidly emerged as candidates to improve the structural stability and device lifetime of 3D perovskite semiconductor devices under operating conditions. The addition of the large A' cation to the traditional AMX 3 structure introduces several synthetic degrees of freedom and breaks M–X bonds, giving rise to peculiar critical phase behavior in the phase space of these complex materials. In this work, we propose a thermodynamic model parametrized by first-principles calculations to generate the phase diagram of 2D and quasi-2D perovskites (q-2DPKs) based on the mechanics and electrostatics of the interface between the A' cations and the metal halide octahedral network. Focusing on the most commonly studied methylammonium lead iodide system where A' is n-butylammonium (BA; CH 3 (CH 2 ) 3 NH 3 + ), we find that the apparent difficulty in synthesizing phase-pure samples with a stoichiometric index N > 5 can be attributed to the energetic competition between repulsion of opposing interfacial dipole layers and mechanical relaxation induced by interfacial stress. Our model shows quantitative agreement with experimental observations of the maximum phase-pure stoichiometric index (N crit ) and explains the nonmonotonic evolution of the lattice parameters with increasing stoichiometric index (N). This model is generalizable to the entire family of q-2DPKs and can guide the design of photovoltaic and optical materials that combine the structural stability of the q-2DPKs while retaining the charge carrier properties of their 3D counterparts.

14 SOLAR ENERGY↗