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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Agent-based microgrid architecture for generation following protocols

A system for predicting power and loads over a single, relatively short time horizon. More specifically, a system comprising a Storage Agent (S-agent) Cohort within a grid control society, wherein the system expands G and L intra-cohort protocols to allow the S-cohort to participate in power management of the grid by scheduling storage components in source or load roles as determined by the time-varying state of the power imbalance and by the risk-adjusting capacity margin relationship between the G and L cohorts.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Physics-Informed Graph Neural Networks for Collaborative Dynamic Reconfiguration and Voltage Regulation in Unbalanced Distribution Systems

Network reconfiguration has long been employed as a strategic approach to minimize power distribution system losses and effectively regulate voltage levels. Tap-changing voltage regulators are also critical for controlling bus voltages, especially in accommodating the increasing integration of distributed energy resources (DERs) with intermittent outputs. This paper introduces novel methodologies to address the challenges of dynamic reconfiguration and optimal tap setting in unbalanced three-phase distribution systems. We propose an approximated mixed-integer quadratically constrained program (MIQCP) to model dynamic reconfiguration, along with a pioneering formulation for voltage regulator (VR) tap-setting based on Special Ordered Set type 1 (SOS1). To mitigate computational complexity, we propose a physics-informed spatial-temporal graph convolutional network (STGCN) with an integrated link classifier. The proposed approach enables efficient solution generation by fixing specific variables in the MIQCP instance and solving the simplified sub-MIP using an MIP solver. Numerical studies demonstrate the superior prediction accuracy of our STGCN model compared to baseline neural network models, resulting in reduced DER curtailment and voltage deviation with shorter computation time.

dynamic reconfiguration↗
DOE OSTI2021

A proposed framework for the development and qualitative evaluation of West Nile virus models and their application to local public health decision-making

West Nile virus (WNV) is a globally distributed mosquito-borne virus of great public health concern. The number of WNV human cases and mosquito infection patterns vary in space and time. Many statistical models have been developed to understand and predict WNV geographic and temporal dynamics. However, these modeling efforts have been disjointed with little model comparison and inconsistent validation. In this paper, we describe a framework to unify and standardize WNV modeling efforts nationwide. WNV risk, detection, or warning models for this review were solicited from active research groups working in different regions of the United States. A total of 13 models were selected and described. The spatial and temporal scales of each model were compared to guide the timing and the locations for mosquito and virus surveillance, to support mosquito vector control decisions, and to assist in conducting public health outreach campaigns at multiple scales of decision-making. Our overarching goal is to bridge the existing gap between model development, which is usually conducted as an academic exercise, and practical model applications, which occur at state, tribal, local, or territorial public health and mosquito control agency levels. The proposed model assessment and comparison framework helps clarify the value of individual models for decision-making and identifies the appropriate temporal and spatial scope of each model. This qualitative evaluation clearly identifies gaps in linking models to applied decisions and sets the stage for a quantitative comparison of models. Specifically, whereas many coarse-grained models (county resolution or greater) have been developed, the greatest need is for fine-grained, short-term planning models (m–km, days–weeks) that remain scarce. We further recommend quantifying the value of information for each decision to identify decisions that would benefit most from model input.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Batch Extraction Studies to Evaluate Trace Element Behavior in PUREX Conditions

The multilab Intentional Forensics Venture is working to identify which stable elements (i.e., taggants) at trace concentrations relative to U would persist throughout the nuclear fuel cycle in a voluntary fuel tagging scheme. A taggant would provide the nuclear forensics community with a “barcode” to help identify nuclear materials found outside of regulatory control. A portion of this project was focused on reprocessing effects and determining which, if any, elements would coextract with U(VI) in standard Pu–U reduction extraction (PUREX) conditions. Elements with a propensity to coextract could, in theory, be used as taggants from a PUREX perspective. Although retention is not a performance requirement, the taggant signature would need to partition predictably from the U stream after the PUREX process to maintain forensic utility. This report documents results from several batch extraction studies with numerous trace elements from HNO 3 (1.5–5 M), with and without U(VI), into 30% tri-n-butyl phosphate (TBP) in kerosene. Extraction and back-extraction tests were used to evaluate nearly 60 elements in surrogate conditions for PUREX, and distribution coefficients (i.e., D-values) for most species were <0.1, indicating few species are likely to co-extract with U through PUREX. Additional studies are needed to optimize sample volumes and dilutions to dial in these low D-values. The D-values (D) were determined for several of the more promising elements, including Re and Se. Ultimately, we conclude that only a limited number of the ~ 60 elements investigated are extractable in the U stream of PUREX, based on measured D values, meaning most candidate elemental taggants would likely be lost at this stage of the nuclear fuel cycle, even when considering a range of acid concentrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2011

The Sensitivity of African Easterly Waves to Eastern Tropical Atlantic Sea-Surface Temperatures

The results of two regional atmospheric model simulations are compared to assess the influence of the eastern tropical Atlantic sea-surface temperature maximum on local precipitation, transient easterly waves and the West African summer monsoon. Both model simulations were initialized with reanalysis 2 data (US National Center for Environmental Prediction and Department of Energy) on 15 May 2006 and extended through 6 October 2006, forced by synchronous reanalysis 2 lateral boundary conditions introduced four times daily. One simulation uses 2006 reanalysis 2 sea-surface temperatures, also updated four times daily, while the second simulation considers ocean forcing absent the sea-surface temperature maximum, achieved here by subtracting 3 K at every ocean grid point between 0 and 15 N during the entire simulation. The simulation with 2006 sea-surface temperature forcing produces a realistic distribution of June-September mean precipitation and realistic westward propagating swaths of maximum rainfall, based on validation against Tropical Rainfall Measuring Mission (TRMM) estimates. The simulation without the sea-surface temperature maximum produces only 57% of the control June-September total precipitation over the eastern tropical Atlantic and about 83% of the Sahel precipitation. The simulation with warmer ocean temperatures generates generally stronger circulation, which in turn enhances precipitation by increasing moisture convergence. Some local precipitation enhancement is also attributed to lower vertical thermal stability above the warm water. The study shows that the eastern tropical Atlantic sea-surface temperature maximum enhances the strength of transient easterly waves and broadens the spatial extent of associated precipitation. However, large-scale circulation and its interaction with the African continent, and not sea-surface temperatures, control the timing and trajectories of the waves.

Druyan, Leonard M.↗
DOE OSTI2023

DSPS: Differentiable stellar population synthesis

ABSTRACT Models of stellar population synthesis (SPS) are the fundamental tool that relates the physical properties of a galaxy to its spectral energy distribution (SED). In this paper, we present DSPS: a python package for SPS. All of the functionality in DSPS is implemented natively in the JAX library for automatic differentiation, and so our predictions for galaxy photometry are fully differentiable, and directly inherit the performance benefits of JAX, including portability onto GPUs. DSPS also implements several novel features, such as i) a flexible empirical model for stellar metallicity that incorporates correlations with stellar age, ii) support for the Diffstar model that provides a physically-motivated connection between the star formation history of a galaxy (SFH) and the mass assembly of its underlying dark matter halo. We detail a set of theoretical techniques for using autodiff to calculate gradients of predictions for galaxy SEDs with respect to SPS parameters that control a range of physical effects, including SFH, stellar metallicity, nebular emission, and dust attenuation. When forward modelling the colours of a synthetic galaxy population, we find that DSPS can provide a factor of 5 speed-up over standard SPS codes on a CPU, and a factor of 300-400 on a modern GPU. When coupled with gradient-based techniques for optimization and inference, DSPS makes it practical to conduct expansive likelihood analyses of simulation-based models of the galaxy–halo connection that fully forward model galaxy spectra and photometry.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Hypervelocity impact facility for simulating materials exposure to impact by space debris

As a result of man's venturing into space, the local debris contributed by his presence exceeds, at some orbital altitudes, that of the natural component. Man's contribution ranges from fuel residue to large derelect satellites that weigh many kilograms. Current debris models are able to predict the growth of the problem and suggest that spacecraft must employ armor or bumper shields for some orbital altitudes now, and that, the problem will become worse as a function of time. The practical upper limit to the velocity distribution is on the order of 40 km/s and is associated with the natural environment. The maximum velocity of the man-made component is in the 14-16 km/s range. The Long Duration Exposure Facility (LDEF) has verified that the 'high probability of impact' particles are in the microgram to milligram range. These particles can have significant effects on coatings, insulators, and thin metallic layers. The surface of thick materials becomes pitted and the local debris component is enhanced by ejecta from the debris spectrum in a controlled environment. The facility capability is discussed in terms of drive geometry, energetics, velocity distribution, diagnostics, and projectile/debris loading. The facility is currently being used to study impact phenomena on Space Station Freedom's solar array structure, other solar array materials, potential structural materials for use in the station, electrical breakdown in the space environment, and as a means of clarifying or duplicating the impact phenomena on the LDEF surfaces. The results of these experiments are described in terms of the mass/velocity distribution incident on selected samples, crater dynamics, and sample geometry.

Rose, M. F.↗
DOE OSTI2022

Model predictive control for matrix converter operating in current control mode with load current estimation

A matrix converter system operating in current control mode is provided. The matrix converter includes a switching matrix coupled between a low voltage side and a high voltage side, wherein the matrix converter is coupled at its low voltage side to a generator for receiving an input power including an input current and transforming the input power into an output power at its high voltage side, wherein a load is coupled to the high voltage side. The control system includes a load observer and a model predictive controller (MPC). The load observer is configured to estimate a load current that flows to the load from the high voltage side of the matrix converter as a function of a switching state of the switching matrix, an output voltage output at the high voltage side of the matrix converter, and the input current. The MPC is configured to select the switching state of the switching matrix to meet one or more control objectives defined by minimization of a multi-objective function that tracks the output voltage and the input current using the estimated load current.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Reducing Uncertainties in Large-Scale Solar Resource Data: The Impact of Aerosols

This study examines the impact of various aerosol databases on the accuracy of irradiance predictions pertaining to the National Solar Radiation Database (NSRDB) over the Americas. Compared to the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2) reanalysis and moderate resolution imaging spectroradiometer (MODIS) space-borne observations, the various improvements that have been made to develop the SOLSUN aerosol database are described, using a monthly temporal resolution and a 4-km spatial resolution. Relative to MERRA-2, these improvements result in lower uncertainty in the solar irradiance components. The most recent version of the NSRDB now uses hourly MERRA-2 aerosol data with bias and elevation correction. This significantly improves the frequency distribution of hourly direct irradiance while having only a small impact on the annual solar resource, as suggested by the validation undertaken here at 12 control sites.

14 SOLAR ENERGY↗
NASA NTRS1986

Joint nonlinearity effects in the design of a flexible truss structure control system

Nonlinear effects are introduced in the dynamics of large space truss structures by the connecting joints which are designed with rather important tolerances to facilitate the assembly of the structures in space. The purpose was to develop means to investigate the nonlinear dynamics of the structures, particularly the limit cycles that might occur when active control is applied to the structures. An analytical method was sought and derived to predict the occurrence of limit cycles and to determine their stability. This method is mainly based on the quasi-linearization of every joint using describing functions. This approach was proven successful when simple dynamical systems were tested. Its applicability to larger systems depends on the amount of computations it requires, and estimates of the computational task tend to indicate that the number of individual sources of nonlinearity should be limited. Alternate analytical approaches, which do not account for every single nonlinearity, or the simulation of a simplified model of the dynamical system should, therefore, be investigated to determine a more effective way to predict limit cycles in large dynamical systems with an important number of distributed nonlinearities.

Mercadal, Mathieu↗
NASA NTRS1995

Recent results from Long Duration Exposure Facility materials testing

The overall goals of the Long Duration Exposure Facility (LDEF) investigations, established by the Materials Special Investigation Group (MSIG) prior to LDEF retrieval, are to provide useful engineering data to people designing and building spacecraft, and secondarily, to obtain data of potential interest to materials researchers. The specific objectives are to support predictions of materials lifetimes under the various low earth orbit (LEO) environments to determine how long the material will physically survive; to estimate the engineering performance lifetimes of these same materials under specific LEO exposures; to identify materials and processes by which given materials degrade; and to provide insights into development of new, more inherently LEO environmentally resistant materials. To achieve the established objectives, two criteria were established to select which materials had the highest priorities for analyses. The first criteria was to examine materials which are still being used on new spacecraft. The second priority was to examine materials with multiple exposure locations on LDEF, because this provided the opportunity to develop predictions on how a material will behave as the exposure environment varies. The goals as defined led to the identification of silverized Teflon (Ag/FEP), chromic acid anodized aluminum, and certain thermal control paints used on LDEF as the material types of highest priority for examination. Ag/FEP was chosen because of an excellent a/e ratio (extremely low), and extensive flight history. Also influencing the decision was the fact that the Hubble Space Telescope uses Ag/FEP as its primary passive thermal control system (and was launched shortly after LDEF retrieval) and that a number of other spacecraft are using or considering this material for use. The various forms of Ag/FEP were used on virtually every side of the LDEF except the earth end. The potential uses of this material, and the location distribution and therefore, exposure conditions, have provided the rationale and opportunity for a comprehensive study of this material.

Pippin, H. Gary↗
NASA NTRS2013

Hypersonic Inflatable Aerodynamic Decelerator (HIAD) Technology Development Overview

The successful flight of the Inflatable Reentry Vehicle Experiment (IRVE)-3 has further demonstrated the potential value of Hypersonic Inflatable Aerodynamic Decelerator (HIAD) technology. This technology development effort is funded by NASA's Space Technology Mission Directorate (STMD) Game Changing Development Program (GCDP). This paper provides an overview of a multi-year HIAD technology development effort, detailing the projects completed to date and the additional testing planned for the future. The effort was divided into three areas: Flexible Systems Development (FSD), Mission Advanced Entry Concepts (AEC), and Flight Validation. FSD consists of a Flexible Thermal Protection Systems (FTPS) element, which is investigating high temperature materials, coatings, and additives for use in the bladder, insulator, and heat shield layers; and an Inflatable Structures (IS) element which includes manufacture and testing (laboratory and wind tunnel) of inflatable structures and their associated structural elements. AEC consists of the Mission Applications element developing concepts (including payload interfaces) for missions at multiple destinations for the purpose of demonstrating the benefits and need for the HIAD technology as well as the Next Generation Subsystems element. Ground test development has been pursued in parallel with the Flight Validation IRVE-3 flight test. A larger scale (6m diameter) HIAD inflatable structure was constructed and aerodynamically tested in the National Full-scale Aerodynamics Complex (NFAC) 40ft by 80ft test section along with a duplicate of the IRVE-3 3m article. Both the 6m and 3m articles were tested with instrumented aerodynamic covers which incorporated an array of pressure taps to capture surface pressure distribution to validate Computational Fluid Dynamics (CFD) model predictions of surface pressure distribution. The 3m article also had a duplicate IRVE-3 Thermal Protection System (TPS) to test in addition to testing with the Aerocover configuration. Both the Aerocovers and the TPS were populated with high contrast targets so that photogrammetric solutions of the loaded surface could be created. These solutions both refined the aerodynamic shape for CFD modeling and provided a deformed shape to validate structural Finite Element Analysis (FEA) models. Extensive aerothermal testing has been performed on the TPS candidates. This testing has been conducted in several facilities across the country. The majority of the testing has been conducted in the Boeing Large Core Arc Tunnel (LCAT). HIAD is continuing to mature testing methodology in this facility and is developing new test sample fixtures and control methodologies to improve understanding and quality of the environments to which the samples are subjected. Additional testing has been and continues to be performed in the NASA LaRC 8ft High Temperature Tunnel, where samples up to 2ft by 2ft are being tested over representative underlying structures incorporating construction features such as sewn seams and through-thickness quilting. With the successful completion to the IRVE-3 flight demonstration, mission planning efforts are ramping up on the development of the HIAD Earth Atmospheric Reenty Test (HEART) which will demonstrate a relevant scale vehicle in relevant environments via a large-scale aeroshell (approximately 8.5m) entering at orbital velocity (approximately 7km/sec) with an entry mass on the order of 4MT. Also, the Build to Print (BTP) hardware built as a risk mitigation for the IRVE-3 project to have a "spare" ready to go in the event of a launch vehicle delivery failure is now available for an additional sub-orbital flight experiment. Mission planning is underway to define a mission that can utilize this existing hardware and help the HIAD project further mature this technology.

Hughes, Stephen J.↗
DOE OSTI2023

Characterization of the In Vivo Deuteration of Native Phospholipids by Mass Spectrometry Yields Guidelines for Their Regiospecific Customization

Customization of deuterated biomolecules is vital for many advanced biological experiments including neutron scattering. However, because it is challenging to control the proportion and regiospecificity of deuterium incorporation in live systems, often only two or three synthetic lipids are mixed together to form simplistic model membranes. This limits the applicability and biological accuracy of the results generated with these synthetic membranes. Despite some limited prior examination of deuterating Escherichia coli lipids in vivo, this approach has not been widely implemented. In this report an extensive mass spectrometry-based profiling of E. coli phospholipid deuteration states with several different growth media was performed, and a computational method to describe deuterium distributions with a one-number summary is introduced. The deuteration states of 36 lipid species were quantitatively profiled in 15 different growth conditions, and tandem mass spectrometry was used to reveal deuterium localization. Regressions were employed to enable the prediction of lipid deuteration for untested conditions. Small-angle neutron scattering was performed on select deuterated lipid samples, which validated the deuteration states calculated from the mass spectral data. Based on these experiments, guidelines for the design of specifically deuterated phospholipids are described. This unlocks even greater capabilities from neutron-based techniques, enabling experiments that were formerly impossible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Large-Scale Molecular Dynamics Simulation of the Dehydration of a Suspension of Smectite Clay Nanoparticles

Fine-grained sediments and sedimentary rocks play important roles in a variety of modern energy technologies from petroleum geology to geological carbon sequestration and radioactive waste management. However, despite their utility and ubiquity, many of their properties remain poorly understood. In particular, the ability to predict the permeability and mechanics of these media remains a persistent fundamental challenge in the geosciences. In the present work, we show how large-scale classical molecular dynamics (MD) simulations can help interpret the properties of fine-grained sedimentary material. All-atom simulations containing 30 discrete clay particles are utilized to understand the evolution of a clay nanoparticle suspension during its progressive dehydration. Microstructural (pore size distribution, tortuosity, anisotropy), thermodynamic (enthalpy and free energy of hydration, anion exclusion), mechanical (total suction), and transport properties (diffusion coefficient tensors of water and sodium) are calculated and compared to the experiment. Overall, our results provide new insight into the coupled chemistry, mechanics, and transport properties of disordered nanoparticle assemblages and shed light upon the important role of water films in controlling these properties.

02 PETROLEUM↗
DOE OSTI2021

Use Machine Learning to Improve Burnup Measurement in Pebble Bed Reactors

Advanced pebble bed reactor (PBR) designs post new challenges in material control and accountancy (MC&A) because the fuel materials, distributed in many discrete pebbles, are continuously circulated through the reactor core and the refueling path compared to the bulk fuel assembly design in conventional reactors, e.g., light water reactors. In pebble bed reactors, there are hundreds of thousands of fuel pebbles in the reactor core during the normal operation, and the burnup of each pebble is measured when ejected from the core. Accurate burnup measurement is an important step in material control and spent fuel disposition. The measurement is usually based on detection of radiation signatures of fission products accumulated in the pebble fuel over irradiation in the core. Previous research has shown that height of photopeaks of fission products, such as 134 Cs, 137 Cs, 154 Eu, etc., can be used independently or in combination to infer or predict the level of burnup in the fuel. However, it remains challenging to measure such complex sources due to self-shielding effects, strong radiation background and intervening materials. Another operational challenge is the required high throughput of pebbles undergoing burnup measurement, which necessitates limited measurement time and thus impacts quality of measured gamma-ray spectra. Hence, advanced spectral analysis methods are needed to analyze the noisy gamma spectra and predict the burnup values.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS2003

An Architectural Concept for Intrusion Tolerance in Air Traffic Networks

The goal of an intrusion tolerant network is to continue to provide predictable and reliable communication in the presence of a limited num ber of compromised network components. The behavior of a compromised network component ranges from a node that no longer responds to a nod e that is under the control of a malicious entity that is actively tr ying to cause other nodes to fail. Most current data communication ne tworks do not include support for tolerating unconstrained misbehavio r of components in the network. However, the fault tolerance communit y has developed protocols that provide both predictable and reliable communication in the presence of the worst possible behavior of a limited number of nodes in the system. One may view a malicious entity in a communication network as a node that has failed and is behaving in an arbitrary manner. NASA/Langley Research Center has developed one such fault-tolerant computing platform called SPIDER (Scalable Proces sor-Independent Design for Electromagnetic Resilience). The protocols and interconnection mechanisms of SPIDER may be adapted to large-sca le, distributed communication networks such as would be required for future Air Traffic Management systems. The predictability and reliabi lity guarantees provided by the SPIDER protocols have been formally v erified. This analysis can be readily adapted to similar network stru ctures.

Maddalon, Jeffrey M.↗
DOE OSTI2026

Heat Transfer Experiments of a 1st Stage Blade Cascade for Supercritical CO2 Oxy-Combustion Turbine Application

The results of internally cooled 1st stage blade (S1B) cascade testing in a supercritical CO2 environment is presented. The turbine blade design has been previously established for the end application of an oxy-combustion turbine operating in the Allam-Fetvedt cycle with turbine inlet conditions of 305 bar and 1150°C. The internally cooled blade features leading edge (LE) region impingement cooling, mid-section ribbed serpentine passages, and a pin-finned trailing edge (TE) region before cooling ejection holes. The geometry for the tested blade cascade has a cooled central blade with un-cooled blades on either side to match flowpath areas of the actual turbine. The flowpath reuses internal components previously employed for mid-section region ribbed serpentine passage experiments that established Nusselt number enhancement ratios over a range of Reynolds numbers from 100,000-400,000. New components include flow conditioning plates upstream and downstream of the blade cascade to adequately represent the flow field and blade external heat transfer coefficient profiles for the actual turbine. The cooled central blade utilizes uniform crystal temperature sensors (UCTS) with six sensors each on the blade pressure and suction surfaces distributed radially and from LE to TE. The post-processed UCTS quantified the maximum wall temperature seen at each installed sensor location. The test procedure consisted of establishing supercritical CO2 cooling flow temperature and flow rate and maintaining it throughout the test. The flow rate aims to match that for the actual in-service turbine blade design and is maintained through an orifice restriction to keep the pressure differential between internal cooling flow and external hot flow nearly constant. For the sCO2 flow path external to the blade, temperatures were ramped throughout the test via control of the test loop’s natural gas burner heater. The maximum temperature seen was 468°C and held constant for a duration of 10 minutes at which the blade metal temperature was predicted to be at its maximum before ramping down. For the turbine blade design for service inlet conditions, external flow path computational fluid dynamics (CFD) results and an internal cooling 1-D thermal and hydraulic flow network model using experimentally validated correlations served as thermal finite element (FE) boundary conditions to predict blade metal temperatures. These predicted temperatures were subsequently utilized in a structural FE model to predict blade life ratings dictated by Haynes 282 creep strength data, having a strong dependence on temperature. The boundary conditions experienced during testing are used in the same workflow and compared to the experimental results, with the goal of validating the analysis methodology and providing insight on the uncertainty in local metal temperature predictions.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Surface Passivation by Excess Sulfur for Controlled Synthesis of Large, Thin SnS Flakes

Tin sulfide (SnS) is part of the group IV chalcogenides (SnX, GeX; X: S, Se), a family of anisotropic layered materials considered for thin film photovoltaics, optoelectronics, and valleytronics, and predicted narrow bandgap multiferroic materials. Large ultrathin SnS flakes, suitable for a variety of applications, are challenging to synthesize because of the enhanced surface reactivity due to the open layer structure of SnS which gives rise to a competition between lateral and vertical growth. Here we investigate the effects of added sulfur on passivating the surface and modifying the balance between lateral expansion and thickening of SnS flakes in chemical vapor transport from a SnS precursor. In addition, we investigate the growth of SnS flakes and compare the results of synthesis from a pure SnS precursor with growth, in which a slight excess of sulfur is supplied in different ways. Our results demonstrate that small amounts of excess sulfur can profoundly affect the size and thickness distributions of SnS flakes. The largest and thinnest flakes are obtained if (i) traces of sulfur are added and (ii) the sulfur source consists either of small Sx fragments released at high temperatures from the reactor walls, or atomic S supplied by sublimation from SnS 2 . The likely mechanism for the observed growth modifications is a transient surface passivation of SnS flakes during growth, which reduces the reactivity of the top facet of the flakes, limits vertical growth, and thus gives rise to ensembles with increased lateral size and reduced thickness.

36 MATERIALS SCIENCE↗