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At least 37 records · Page 2

Decoupling indentation size and strain rate effects during nanoindentation: A case study in tungsten

Materials indented at small scales may simultaneously exhibit indentation size and strain rate effects which complicate the identification of the mechanisms that control deformation and strength. Here, in this work, we explore the possibility that indentation size and rate effects in some materials can be decoupled in a simple way. Nanoindentation tests with various load-time histories were carried out to measure the hardness of a tungsten single crystal over a wide range of indentation depths (~500–3600 nm) and indentation strain rates (~5 ×10 –5 –2 ×10 –1 s –1 ). Under these conditions, this material exhibits significant indentation size and rate effects, but the size effect is, to a good approximation, independent of strain rate. It is shown that this behavior can be understood by the Nix-Gao model for the indentation size effect modified to include the effects of a strain rate dependent friction stress. As a consequence, the size and rate dependencies of the hardness can be expressed as the sum of two independent terms: H($\dot{ε}$ i , h c )=H f ($\dot{ε}$ i ) + (H 0 – H f ) $\sqrt{1+ \frac{h^*}{h_c}}$, where H($\dot{ε}$ i , h c ) is the hardness at given indentation strain rate ($\dot{ε}$ i ) and contact depth (h c ), H f ($\dot{ε}$ i ) is the hardness contributed by the rate dependent friction stress, and (H 0 – H f ) and h* are size and rate independent constants that follow from the Nix-Gao analysis. This formula, together with an expression for the rate dependence of H f , was successfully applied to decouple the indentation size and rate effects observed in tungsten. In addition, the physics underlying the rate independence of indentation size effect is discussed, which provides guidance for application of the proposed approach to other materials.

42 ENGINEERING↗

Tool-workpiece stick-slip conditions and their effects on torque and heat generation rate in the friction stir welding

Friction stir welding (FSW) has found increased applications in automotive and aerospace industries due to its advantages of solid-state bonding, no fusion and melting, and versatility in various working conditions and material combinations. However, the relationship among processing parameters, material properties, and bonding extent and fidelity remains largely empirical, primarily because of the lack of the mechanistic understanding of the tool-workpiece frictional behavior that affects our subsequent understanding of microstructural evolution and interface bonding formation. While the tool-workpiece stick-slip condition is believed to dictate the resulting torque and heat generation rate during the welding process, it remains rare and elusive to conduct a quantitative experimental measurement of such interfacial field. On the other hand, numerical simulations based on Computational Fluid Dynamics (CFD) rely on ad hoc assumptions of interfacial pressure and shear-stress conditions, but predictions can only be validated via the medium- and far-range temperature field which is known to be insensitive to the interfacial frictional behavior. This work first presents a comparison among two CFD-based simulation methodologies and the Coupled Eulerian Lagrangian (CEL) model in finite element method, the last of which uses the Coulomb friction so that the stick-slip is naturally developed. Based on the Hill-Bower similarity relationship in the contact analysis, an analytical model is developed here to prove why a constant stick-slip fraction will be developed in the steady state, to correlate the stick-slip fraction to processing parameters such as the tool spin rate, and further to derive dimensionless functions for torque and heat-generation-rate predictions. Pros and cons of various numerical approaches in predicting stick-slip are discussed, and our analytical model has been found to agree well with our numerical simulation and literature experimental results. These analyses provide the critical strain-rate and temperature fields that are needed for the bonding analysis in our future work.

36 MATERIALS SCIENCE↗

Nonlinear dynamics, bifurcations, and multi-stability in a vibro-impact system with geometric and multi-segmented freeplay nonlinearities

Freeplay is a common type of piecewise-smooth nonlinearity in dynamical systems, and it can cause discontinuity-induced bifurcations and other behaviors that may bring about undesirable and potentially damaging responses. Prior research has focused on piecewise-smooth systems with two or three distinct regions, but less attention is devoted to systems with more regions (i.e., multi-segmented systems). In this work, numerical analysis is performed on a dynamical system with multi-segmented freeplay, in which there are four stiffness transitions and five distinct regions in the phase space. Here, the effects of the multi-segmented parameters are studied through bifurcation diagram evolution along with induced multi-stable behavior and different bifurcations. These phenomena are interrogated through various tools, such as harmonic balance, basins of attraction, phase planes, and Poincaré section analysis. Results show that among the three multi-segmented parameters, the asymmetry has the strongest effect on the response of the system.

42 ENGINEERING↗

Deposition-Dependent Coverage and Performance of Phosphonic Acid Interface Modifiers in Halide Perovskite Optoelectronics

In this work, we study the effect of various deposition methods for phosphonic acid interface modifiers commonly pursued as self-assembled monolayers in high-performance metal halide perovskite photovoltaics and light-emitting diodes. We compare the deposition of (2-(3,6-diiodo-9H-carbazol-9-yl)ethyl)phosphonic acid onto indium tin oxide (ITO) bottom contacts by varying three parameters: the method of deposition, specifically spin coating or prolonged dip coating; ITO surface treatment via HCl/FeCl3 etching; and use in combination with a second modifier, 1,6-hexylenediphosphonic acid. We demonstrate that varying these modification protocols can impact time-resolved photoluminescence carrier lifetimes and quasi-Fermi level splitting of perovskite films deposited onto the phosphonic acid-modified ITO. Ultraviolet photoelectron spectroscopy shows an increase in the effective work function after phosphonic acid modification and clear evidence for photoemission from carbazole functional groups at the ITO surface. We used X-ray photoelectron spectroscopy to probe differences in phosphonic acid coverage on the metal oxide contact and show that perovskite samples grown on ITO with the highest phosphonic acid coverage exhibit the longest carrier lifetimes. Finally, we establish that device performance follows these same trends. These results indicate that the reactivity, heterogeneity, and composition of the bottom contact help to control recombination rates and therefore power conversion efficiencies. ITO etching, prolonged deposition times for phosphonic acids via dip coating, and the use of a secondary, more hydrophilic bisphosphonic acid all contribute to improvements in surface coverage, carrier lifetime, and device efficiency. Furthermore, these improvements each have a positive impact, and we achieve the best results when all three strategies are implemented.

contact engineering↗

Patterned, Low-Temperature Growth of Transition Metal Dichalcogenides for Low Resistance Raised Contacts

Transition metal dichalcogenide (TMD) monolayers are promising channel materials for next-generation electronic devices. A challenge is the high contact resistance between monolayer TMDs and metal contacts, especially for holes. Here, in this regard, raised source/drain contacts are promising. However, the direct, patterned growth of raised contacts at CMOS-compatible temperatures remains largely unresolved. We present plasma-free selenization and sulfurization of metal oxides at substrate temperatures down to 400 °C, compatible with back-end-of-line thermal budgets. To achieve growth at such temperatures, gas-phase chalcogen precursors are first thermally activated at 950 °C. Films grown on single-crystal monolayer TMDs exhibit high crystal quality, as confirmed by transmission electron microscopy. Raised contacts on WSe 2 monolayers fabricated using this approach yield a low hole contact resistance of 0.3 kΩ·μm after chemical doping. This process is shown to be applicable to growing various TMDs, including WS 2 , MoSe 2 , MoS 2 , PtSe 2 , and NbS 2 .

contact engineering↗

High-Torque Heavy-Rare-Earth-Free Electric Motor Thermal Management

This project is part of a multi-lab Next-Generation Reliable Electric Drive Systems for Medium and Heavy-Duty Vehicles (NEXT-DRIVE) project led by Oak Ridge National Laboratory (ORNL), and including NREL, Sandia National Laboratories (SNL), and Ames Laboratory that leverages research expertise and facilities of these national labs to develop tools and approaches for reducing the design and development time of new electric drive technologies for medium and heavy-duty vehicles (MHDVs) and their associated costs while increasing reliability and asset utilization. The Next-Drive project aligns with the DOE's goals by introducing high-fidelity multi-physics and AI/ML-based modeling to design low-cost, highly reliable, and longer-lifetime drivetrains, aiming to achieve 25 years of progress in 5 years. The efforts of this project will focus on NEXT-DRIVE Task 4 (led by ORNL, NREL, and AMES) - developing high-fidelity modeling framework and identifying technologies enabling heavy-rare-earth-free electric motors for medium- and heavy-duty vehicles to achieve 1 million miles of operation. Contrary to conventional approaches that optimize the motor for power density, the focus will be to identify motor designs that achieve the best trade-off between motor power density and durable operation. NREL tasks include development of high-fidelity motor thermal models incorporating rotor windage losses and identification, evaluation and measurement of motor interface materials in key thermal pathways. The poster summarizes NREL's accomplishments for the first half of FY 2025 and outlines future plans.

33 ADVANCED PROPULSION SYSTEMS↗

Nonlinear Interface Reduction for Time-Domain Analysis of Hurty/Craig-Bampton Superelements with Frictional Contact

Virtual prototyping in engineering design relies today on modern numerical models of contacting structures with accurate resolution of interface mechanics, which strongly affect the system-level stiffness and energy dissipation due to frictional losses. High-fidelity modeling within the localized interfaces is required to resolve local quantities of interest that may drive design decisions. The high-resolution finite element meshes necessary to resolve inter-component stresses tend to be computationally expensive, particularly when the analyst is interested in response time histories. The Hurty/Craig-Bampton (HCB) transformation is a widely used method in structural dynamics for reducing the interior portion of a finite element model while having the ability to retain all nonlinear contact degrees of freedom (DOF) in physical coordinates. These models may still require many DOF to adequately resolve the kinematics of the interface, leading to inadequate reduction and computational savings. This study proposes a novel interface reduction method to overcome these challenges by means of system-level characteristic constraint (SCC) modes and properly orthogonal interface modal derivatives (POIMDs) for transient dynamic analyses. Both SCC modes and POIMDs are computed using the reduced HCB mass and stiffness matrices, which can be directly computed from many commercial finite element analysis software. Comparison of time history responses to an impulse-type load in a mechanical beam assembly indicate that the interface-reduced model correlates well with the HCB truth model. Localized features like slip and contact area are well-represented in the time domain when the beam assembly is loaded with a broadband excitation. The proposed method also yields reduced-order models with greater critical timestep lengths for explicit integration schemes.

42 ENGINEERING↗

Commercial Off-the-Shelf Flexible Contact Stress Sensor System: Design Thinking and Systems Engineering Assignment

NNSA has a need to measure the contact stress over long-term durations with minimal impact on the element of interest. The sensor and package should have a small footprint, thin, flexible, modular, and preferably commercially available. There exists an opportunity to leverage expertise within LLNL in sensor development to provide a minimally invasive contact stress sensing solution for NNSA and potentially external customers.

42 ENGINEERING↗

Characterization of Engineered Pinholes in Dielectric Stacks of High-Performance Poly-Silicon Passivating Contacts

Passivating contact structures are expected to be implemented in > 50 % of industrially manufactured silicon photovoltaics produced over the next decade. One type of passivating contact utilizes a c-Si/dielectric/doped poly-Si layer stack. In cases where the dielectric layer/s are thick enough to impede tunneling of charge carriers, it was shown that disruptions (pinholes) in the dielectric are required to facilitate transport.[1] Pinholes in SiOx layers have typically been formed via high temperature annealing that allows localized breakup of this layer. This approach has drawbacks; 1) high temperature annealing increases cost and 2) pinhole formation is sensitive to both the SiOx thickness and wafer surface morphology making control of density and dimensions difficult. Recently, an alternative method of pinhole formation relying on metal assisted chemical etching (MACE) was shown to allow control over pinhole areal densities.[2] Such control is critical as both the density and dimensions of the pinholes determine saturation current density and contact resistivity. The contacts formed with the MACE process are known as polysilicon on locally etched oxide or PLEO and also result in low saturation current densities and low contact resistivity due to SiOx passivation and engineered pinhole enabled charge carrier transport, respectively. Photovoltaic devices with efficiencies greater than 20 % have recently been produced with these contacts, demonstrating the viability of contacts with engineered pinholes. Experimentally, preferential local collection of excess charge carriers has been observed and definitively connected to thermally induced pinholes in thick SiOx layers within c-Si/SiOx/poly-Si contact structures.[3] Recent work has shown that enhanced local collection of excess carriers can result from enhanced diffusion of dopants through pinholes in SiOx layers.[4] This study was restricted to simulation and characterization of poly-Si with the same dopant type as the c-Si substrates. In this work we focus our analysis on boron doped poly-Si with different stacks of dielectric layers (PLEO and PLENO where the N refers to a SiNy layer on top of the SiOx) on n-type crystalline silicon. This provides insight into how engineered pinholes affect charge collection across the p-n junction. Like previous observations of locally enhanced carrier transport through thermally induced pinholes, the EBIC images in Figure 1 shows that engineered pinholes in PLENO (1a) and PLEO (1b) also exhibit locally enhanced carrier transport at pinhole locations (bright spots in the images). We will also present detailed correlative nanoscale structural and chemical analysis using TEM imaging and EELS analysis with sample preparation guided by EBIC imaging. This allows us to connect the density and dimensions of engineered pinholes with charge carrier transport and measured photovoltaic device parameters. Our findings will accelerate the adoption of PLEO and PLENO contacts in industrially manufactured photovoltaic devices.

EBIC↗

Cross-Cutting Metrology Tools for In Operando Characterization of Carrier Dynamics in Photovoltaic Devices (Final Technical Report)

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher V oc and photovoltaic (PV) efficiency. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but not all materials are strongly emissive or otherwise suitable. Time-resolved terahertz spectroscopy is a pump – probe method that presents valuable complementary information, wherein an optical pump pulse photoexcites carriers within the absorber and the transient photoconductivity is probed with a terahertz pulse. Until now, experimental constraints have prohibited the use of terahertz probes to interrogate full device stacks, and measurements were instead made on exfoliated films or films grown on unconventional substrates. However, interfaces are critical to the behavior of photoexcited carriers in solar cells, and the substrates themselves often influence the film growth and bulk properties. Therefore, it is important to probe the behavior of PV absorbers as close as possible to their normal operating conditions. Here we have developed cross-cutting metrology that enable in operando characterization of carrier dynamics and recombination mechanisms in working PV devices. Through a combination of complementary non-contact TRTS and TRPL experiments and modeling, we have obtained key parameters including photoexcited carrier bulk lifetime and interface and back surface recombination velocities with greater precision and accuracy than can be achieved with conventional TRPL alone. By varying pulsed photoexcitation conditions, the contributions of interface and bulk recombination mechanisms can be determined. We have developed and refined this characterization approach by investigating CdTe PVs, which is a well-established technology but with significant margin for further improvements in efficiency. Results were published in Journal of Applied Physics (DOI: 10.1063/5.0064730) and Proceedings of the IEEE PVSC (DOI: 10.1109/PVSC43889.2021.9518559). After validating the approach, we have applied it to correlate recombination rates to processing conditions and material properties, including composition and defects as well as interfaces and surface treatments. Such feedback can inform processing and design choices to enable higher PV efficiency, not only for CdTe, but also CdSe x Te 1-x , CIGS, perovskites, kesterites, and future technologies. A perspective on predicting solar cell performance from terahertz spectroscopy was published in Advanced Energy Materials (DOI: 10.1002/aenm.202102776). The cross-cutting metrology tools developed here will enable determination of the locus and mechanism of performance-limiting recombination in thin film PV devices. This feedback can guide the engineering of PV devices with higher V oc and efficiency, thereby leading to reductions in levelized cost of electricity to meet the SunShot 2030 target of $0.03/kWh for utility-scale PV. Lower costs will enable rapid expansion of renewable electricity generation that is nearly free of carbon emissions. Reducing carbon emissions of the electricity sector is one of the most important solutions to climate change. The project’s specific focus on CdTe PV can benefit First Solar, the US company that is the global leader in CdTe technology, through both technology and workforce development.

14 SOLAR ENERGY↗

Distinguishing bulk and surface recombination in CdTe thin films and solar cells using time-resolved terahertz and photoluminescence spectroscopies

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher open circuit voltage (V oc ) and power conversion efficiency in photovoltaic (PV) devices. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but carrier redistribution often dominates the response at short times. In this work, we report on the quantification of carrier dynamics and recombination mechanisms by complementary use of both time-resolved terahertz spectroscopy (TRTS) and TRPL combined with numerical modeling of the continuity equations and Poisson’s equation. We have demonstrated this approach using CdTe thin films. A thin film stack with CdTe fabricated by vapor transport deposition and treated with CdCl 2 exhibited a bulk lifetime of 1.7 ± 0.1 ns, negligible CdTe/CdS interface recombination velocity, and back surface recombination velocity of 6.3 ± 1.3 x10 4 cm/s. In contrast, a film stack without CdCl 2 treatment had a bulk lifetime of only 68 ± 12 ps and a higher interface recombination velocity of 4 ± 2 x10 8 cm/s. By determining the locus and mechanisms of performance-limiting recombination, we can accelerate the development of thin-film PVs with higher V oc and efficiency. While the method has been demonstrated here using CdTe, it is also applicable to perovskites, Cu(InGa)Se 2 , Cu2ZnSn(S,Se) 4, and emerging technologies.

14 SOLAR ENERGY↗

Separation of volatile organic contaminants from water using a direct-contact dehumidifier: An experimental study and modeling

A packed-bed, direct-contact dehumidifier (PB-DCD) has been developed to selectively condense water from a gaseous mixture of organic contaminants. In this process, hot air is humidified by mixing with wastewater vapor in a static mixer and is dehumidified by subcooled fresh water passing through the PB-DCD in a counter-current configuration. The goal of this study is to understand the relationship between various operating parameters and how they affect separation of isopropyl alcohol (IPA) from the gaseous mixture with the purpose of expanding the investigation to other contaminants in the future. The process has been successfully used to separate IPA from wastewater. Different parameters including the concentration of IPA in water, feed temperature, air-to-vapor ratio, and cooling-water-to-vapor mass ratio, as well as residence time were examined to determine their influence on contaminant separation and clean water recovery rate. The Buckingham Pi theorem was applied to reduce the number of studying variables by generating non-dimensional groups. Experiments were performed to determine the relationship between the non-dimensional parameters and model mass transfer in the system. Mass transfer coefficients for multicomponent gaseous mixture condensation in a packed-bed direct contact condenser column are calculated and a modified correlation of mass transfer is developed. The parameters of the mass transfer model are obtained from operating conditions of the PB-DCD, stream conditions and thermodynamic properties. A modified Sherwood correlation is developed to predict IPA separation from a gaseous mixture consisting of air, water, and IPA. The modified Sherwood correlation is applied to successfully predict the Sherwood number with a mean absolute error equal to 6.6 %. According to the experimental results, the maximum IPA separation achieved was 76.3 %, which corresponds to a water recovery rate of 58.7 %.

42 ENGINEERING↗

Validation and Parametric Investigations of an Internal Permanent Magnet Motor Using a Lumped Parameter Thermal Model

One of the key challenges for the electric vehicle industry is to develop high-power-density electric motors. Achieving higher power density requires efficient heat removal from inside the motor. In order to improve thermal management, a multiphysics modeling framework that is able to accurately predict the behavior of the motor, while being computationally efficient, is essential. This paper first presents a detailed validation of a lumped parameter thermal network (LPTN) model of an Internal Permanent Magnet synchronous motor within the commercially available MOTOR-CAD modeling environment. The validation is based on temperature comparison with experimental data and with more detailed finite element analysis (FEA). All critical input parameters of the LPTN are considered in detail for each layer of the stator, especially the contact resistances between the impregnation, liner, laminations, and housing. Finally, a sensitivity analysis for each of the critical input parameters is provided. A maximum difference of 4% - for the highest temperature in the slot-winding and the end-winding - was found between the LPTN and the experimental data. Comparing the results from the LPTN and the FEA model, the maximum difference was 2% for the highest temperature in the slot-winding and end-winding. As for the LPTN sensitivity analysis, the thermal parameter with the highest sensitivity was found to be the liner-to-lamination contact resistance.

42 ENGINEERING↗

Lubricant impacts on piston deposit formation in the Enterprise marine diesel research engine

The impact of lubricant formulation on piston deposits was studied using the Enterprise, a reduced-scale, single-cylinder, two-stroke crosshead marine diesel research engine. The Enterprise engine was specially designed for marine diesel lubricant research, with a custom reduced-scale cylinder lubricant injection system and extensive instrumentation of thermal boundary conditions on both the liner and piston. Lubricant conditions typical of full-scale marine diesel engines are obtained by matching mean piston speed, liner temperature profile, and combustion metrics to realistic values.Piston deposit thicknesses were measured after a set period of operation, with a focus on lubricant-based deposits on the lands and ring grooves, using both optical and contact-based measurement techniques. Engine operation for each lubricant was conducted according to a standardized protocol, with precise control of engine speed and load, cylinder lubricant injection rate, coolant temperatures, and system oil temperature; the liner and piston temperatures are continuously monitored during operation. After operation with each lubricant was completed, the engine was disassembled, and the piston and ring deposits were characterized. The piston was then thoroughly cleaned, and the lubricant system flushed, between each lubricant formulation being evaluated. The impacts on piston deposits of the lubricants being evaluated can thus be accurately quantified and are described herein.

Kaul, Brian↗

GH Induction System 1B (BR-105) & MRF System 6 (BR-120) in B226

The purpose of the attached calculations and detail sketches is to document conformance with the requirements of DOE-STD-1020-2016 for the subject project. The calculations have been reviewed for technical accuracy, appropriate methodology, and completeness using the "Document Review Method." The reviewer confirms that the stated purpose has been met. This package does not constitute a construction permit. The enclosed calculations are valid for 2 years from signed date or expiration of listed code cycles, whichever occurs first. Licensed civil or structural engineer is to be contacted for calculations application following expiration of calculations package.

42 ENGINEERING↗

Fabrication of Poly-Si on Locally Etched SiOx as Passivating Contacts for c-Si Solar Cells

Proof-of-concept for polysilicon on locally etched oxide (PLEO) contacts. Room temperature approach (via MACE) to engineer pinholes decouples charge-carrier transport across contact from passivation scheme of choice. 19 and 17% PLEO devices fabricated on double-side textured and saw-damage etched n Cz wafers, respectively. Preliminary work on polysilicon on locally etched nitride/oxide (PLENO) contacts. 0.2 fA/cm2 achieved with p PLENO; contact displays Ohmic behavior but still very resistive due to low pinhole density.

c-Si↗

Experimental analysis of conductive drying of paper and board

The primary heat transfer source in the conventional multi-cylinder drying of paper and board is conduction. Conduction is facilitated by high-tension contact with steam-heated cylinders, while convective drying, the main mass transfer source, operates as heated air flows over the paper web in the pockets. This conduction process occurs at elevated temperatures and contact pressures to ensure effective contact between the wet paper web and the heated cylinders. The contact pressures and temperatures of the hot surface significantly influence the conductive drying characteristics. This research paper presents an experimental study that involves designing a simple lab-scale setup with in-situ and continuous sensing capabilities for various commercially available grades of paper and board. Embedded thermocouples measure the temperatures of the heated platen and the sheet, allowing the collection of flux data to determine heat transfer characteristics. Here, the goal of this study is to ascertain the instantaneous contact coefficients for different basis weights as a function of moisture content. The acquired data will provide valuable insights and information towards process development, design and simulation of the paper drying process.

42 ENGINEERING↗