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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

SU-E-I-76: Matching Primary and Scattered X-Ray Spectra for Use in Calculating the Diagnostic Radiation Index of Protection

Purpose: Lightweight lead-free or lead-composite protective garments exploit k-edge interactions to attenuate scattered X-rays. Manufacturers specify the protective value of garments in terms of lead equivalence at a single kVp. This is inadequate, as the protection provided by such garments varies with radiation quality in different use conditions. We present a method for matching scattered X-ray spectra to primary X-ray spectra. The resulting primary spectra can be used to measure penetration through protective garments, and such measurements can be weighted and summed to determine a Diagnostic Radiation Index for Protection (DRIP). Methods: Scattered X-ray spectra from fluoroscopic procedures were modeled using Monte Carlo techniques in MCNP-X 2.7. Data on imaging geometry, operator position, patient size, and primary beam spectra were gathered from clinical fluoroscopy procedures. These data were used to generate scattered X-ray spectra resulting from procedural conditions. Technical factors, including kV and added filtration, that yielded primary X-ray spectra that optimally matched the generated scattered X-ray spectra were identified through numerical optimization using a sequential quadratic programming (SQP) algorithm. Results: The primary spectra generated with shape functions matched the relative flux in each bin of the scattered spectra within 5%, and half and quarter-value layers matched within 0.1%. The DRIP for protective garments can be determined by measuring the penetration through protective garments using the matched primary spectra, then calculating a weighted average according to the expected clinical use of the garment. The matched primary spectra are specified in terms of first and second half-value layers in aluminum and acrylic. Conclusion: Lead equivalence is inadequate for completely specifying the protective value of garments. Measuring penetration through a garment using full scatter conditions is very difficult. The primary spectra determined in this work allow for practical primary penetration measurements to be made with equipment readily available to clinical medical physicists.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

SU-E-T-116: Analysis of Patient Specific VMAT QA Passing Rates with Delta4 for Matched Machines

Purpose: To test whether unified vendor specified beam conformance for matched machines implies volumetric modulated arc radiotherapy(VMAT) delivery consistency. Methods: Twenty-two identical patient QA plans, eleven 6MV and eleven 15MV, were delivered to the Delta{sup 4}(Scandidos, Uppsala, Sweden) on two Varian TrueBEAM matched machines. Sixteen patient QA plans, nine 6 MV and seven 10 MV, were delivered to Delta{sup 4} on two Elekta Agility matched machines. The percent dose deviation(%DDev), distance-to-agreement(DTA), and the gamma analysis(γ) were collected for all plans and the differences in measurements were tabulated between matched machines. A paired t-test analysis of the data with an alpha of 0.05 determines statistical significance. Power(P) was calculated to detect a difference of 5%; all data except Elekta %DDev sets were strong with above a 0.85 power. Results: The average differences for Varian machines (%DDev, DTA, and γ) are 6.4%, 1.6% and 2.7% for 6MV, respectively, and 8.0%, 0.6%, and 2.5% for 15MV. The average differences for matched Elekta machines (%DDev, DTA, and γ) are 10.2%, 0.6% and 0.9% for 6 MV, respectively, and 7.0%, 1.9%, and 2.8% for 10MV.A paired t-test shows for Varian the %DDev difference is significant for 6MV and 15MV(p-value6MV=0.019, P6MV=0.96; p-value15MV=0.0003, P15MV=0.86). Differences in DTA are insignificant for both 6MV and 15MV(p-value6MV=0.063, P6MV=1; p-value15MV=0.907, P15MV=1). Varian differences in gamma are significant for both energies(p-value6MV=0.025, P6MV=0.99; p-value15MV=0.013, P15MV=1). A paired t-test shows for Elekta the difference in %DDev is significant for 6MV but not 10MV(p-value6MV=0.00065, P6MV=0.68; p-value10MV=0.262, P10MV=0.39). Differences in DTA are statistically insignificant(p-value6MV=0.803, P6MV = 1; p-value10MV=0.269, P10MV=1). Elekta differences in gamma are significant for 10MV only(p-value6MV=0.094, P6MV=1; p-value10MV=0.011, P10MV=1). Conclusion: These results show vendor specified beam conformance across machines does not ensure equivalent patient specific QA pass rates. Gamma differences are statistically significant in three of the four comparisons for two pairs of vendor matched machines.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-508: Internal Organ Motion Effect On Radiation Dose to a Point Under Half-Beam Block Match Line

Purpose Half-beam block is a field matching technique frequently used in radiotherapy. With no setup error, a well calibrated linac, and no internal organ motion, two photon fields can be matched seamlessly dosimetry-wise with their central axes passing the match line. However, in actual clinical situations, internal organ motion is often inevitable. This study was conducted to investigate its influence on radiation dose to patient internal points directly under the matching line. Methods A clinical setting is modeled as two half-space (x<0 and x<0) radiation fields that are turned on sequentially with a time gap of integer times of the patient internal organ motion period (T{sub 0}). Our point of interest moves with patient internal organs periodically and evenly in and out of the radiation fields, resulting in an average location at x=0. When the fields are delivered without any motion management, the initial phase of the point’s movement is unknown. Statistical methods are used to compute the expected value ( ) and variance (σ) of the point dose given the uncertainty. Results Analytical solutions are obtained for and s of dose received by a point directly under the match line. is proportional to the total beam-on time (T1), and σ demonstrates previously unknown periodic behavior. /<Dσ has local maximums (minimums) when T{sub 1} is 2n*T{sub 0} ((2n+1)*T{sub 0}) (n is an integer) with an upper envelope scales as 1/T{sub 1}. Worst case scenario the point dose can be zero or double of the expected value. Conclusion We have analytically analyzed the internal organ motion effect on radiation dose received by a patient internal point directly under a half-beam block match line. Our results help us to better understand this phenomenon and facilitate the reduction of point dosimetric uncertainties in our clinical practice.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-643: Feasibility of Performing Patient Specific VMAT QA On Single Linac for Plans Treated in Beam-Matched Elekta Agility Linacs

Purpose: The increasing application of VMAT demands a more efficient workflow and QA solution. This study aims to investigate the feasibility of performing VMAT QA measurements on one linac for plans treated on other beam-matched Elekta Agility linacs. Methods: A single model was used to create 24 clinically approved VMAT plans (12 head-and-neck and 12 prostate using 6MV and 10MV respectively) on Pinnacle v9.10 (Philips, Einhoven, Netherlands). All head-and-neck plans were delivered on three beam-matched machines while all prostate cases were delivered on two beam-matched 10MV Agility machines. All plans were delivered onto PTW Octavius 4D phantom with 1500 detector array (PTW, Freiburg, Germany). Reconstructed volume doses were then compared with the Pinnacle reference plans in Verisoft 6.1 under 3%/3mm gamma criteria at local dose. Plans were considered clinically acceptable if >90% of the voxels passing the gamma criteria. Results: All measurements were passed (3D gamma passing rate >90%) and the result shows that the mean difference of 3D gamma of 12 head-and-neck cases is 1.2% with standard deviation of 0.6%. While for prostate cases, the mean difference of 3D gamma is 0.9% with standard deviation of 0.7%. Maximum difference of 3D gamma of all measurements between beam-matched machines is less than 2.5%. The differences of passing rates between different machines were statistically insignificant (p>0.05). Conclusion. The result suggests that ther Conclusion: The result suggests that there exists a 3D gamma threshold, in our case 92.5%, above which the VMAT QA performed in any one of beam-matched machine will also pass in another one. Therefore, VMAT QA efficiency may be increased and phantom set up time can be saved by implementing such method. A constant performance across all beam matched machines must be maintained to make this QA approach feasible.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Longitudinal matching without $γ_t$ quads

The Yellow e-lens lattice requires a different working point (29.68/30.69 instead of 28.68/29.69) to provide the correct betatron phase advance between IP 8 and the e-lens. Since this raises $γ_t$ by about one unit, it needs to be ensured that longitudinal matching can still be achieved. In an earlier experiment, $γ_t$ had been lowered by $∆γ_t$ = 0.35 by means of the $γ_t$ quadrupoles. In the experiment reported here, longitudinal matching was achieved by lowering the 9 MHz RF cavity voltage, while $γ_t$ was raised by 0.5 units to more closely simulate the conditions with the higher integer tunes. During the experiment, the Yellow $γ_t$ quad design values were set to the park current (2A), and tunes were adjusted through RampEditor. The 9 MHz RF cavity voltage was reduced from 17 kV to the calculated matched value of 12 kV. Figure 1 shows the resulting beam profile evolution as measured by the wall current monitor (WCM). In an attempt to further fine-tune the matching, the voltage was set to 11.5 and 12.5 kV. However, shot-to-shot fluctuations were larger than the effect of these voltage variations. The Yellow Landau was off during this study, as set through the YellowStore tab in RFramps, as well as in the Landau tab. At the end of the study the Landau settings were restored in the Landau tab to the value as found at the start. The experiment was successful; matching was achieved with around 12 kV on the 9 MHz cavity. Had only one bunch in Yellow during the experiment, but 56 in Blue with the same 9 MHz RF voltage, though unmatched due to regular gamma-t quad settings. No problems due to beam loading at the low cavity voltage occured. This experiment, together with previous studies, indicates that longitudinal matching into the Yellow e-lens lattice can be achieved in spite of the higher horizontal tune.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Longitudinal matching without $\gamma_t$ quads

The Yellow e-lens lattice requires a different working point (29.68/30.69 instead of 28.68/29.69) to provide the correct betatron phase advance between IP 8 and the e-lens. Since this raises $\gamma_t$ by about one unit, it needs to be ensured that longitudinal matching can still be achieved. In an earlier experiment, $\gamma_t$ had been lowered by$\Delta\gamma_t$ = 0.35 by means of the $\gamma_t$ quadrupoles. In the experiment reported here, longitudinal matching was achieved by lowering the 9 MHz RF cavity voltage, while $\gamma_t$ was raised by 0.5 units to more closely simulate the conditions with the higher integer tunes. During the experiment, the Yellow $\gamma_t$ quad design values were set to the park current (2A), and tunes were adjusted through RampEditor. The 9 MHz RF cavity voltage was reduced from 17 kV to the calculated matched value of 12 kV. Figure 1 shows the resulting beam profile evolution as measured by the wall current monitor (WCM). In an attempt to further fine-tune the matching, the voltage was set to 11.5 and 12.5 kV. However, shot-to-shot fluctuations were larger than the effect of these voltage variations. The Yellow Landau was off during this study, as set through the YellowStore tab in RFramps, as well as in the Landau tab. At the end of the study the Landau settings were restored in the Landau tab to the value as found at the start. The experiment was successful; matching was achieved with around 12 kV on the 9 MHz cavity. Had only one bunch in Yellow during the experiment, but 56 in Blue with the same 9 MHz RF voltage, though unmatched due to regular gamma-t quad settings. No problems due to beam loading at the low cavity voltage occurred. This experiment, together with previous studies , indicates that longitudinal matching into the Yellow e-lens lattice can be achieved in spite of the higher horizontal tune.

43 PARTICLE ACCELERATORS↗
NASA NTRS1972

A Computer Aided Broad Band Impedance Matching Technique Using a Comparison Reflectometer

An improved broadband impedance matching technique was developed. The technique is capable of resolving points in the waveguide which generate reflected energy. A version of the comparison reflectometer was developed and fabricated to determine the mean amplitude of the reflection coefficient excited at points in the guide as a function of distance, and the complex reflection coefficient of a specific discontinuity in the guide as a function of frequency. An impedance matching computer program was developed which is capable of impedance matching the characteristics of each disturbance independent of other reflections in the guide. The characteristics of four standard matching elements were compiled, and their associated curves of reflection coefficient and shunt susceptance as a function of frequency are presented. It is concluded that an economical, fast, and reliable impedance matching technique has been established which can provide broadband impedance matches.

Gordy, R. S.↗
NASA NTRS2009

Micro-Horn Arrays for Ultrasonic Impedance Matching

Thin-layered structures containing arrays of micromachined horns, denoted solid micro-horn arrays (SMIHAs), have been conceived as improved means of matching acoustic impedances between ultrasonic transducers and the media with which the transducers are required to exchange acoustic energy. Typically, ultrasonic transducers (e.g., those used in medical imaging) are piezoelectric or similar devices, which produce small displacements at large stresses. However, larger displacements at smaller stresses are required in the target media (e.g., human tissues) with which acoustic energy is to be exchanged. Heretofore, efficiencies in transmission of acoustic energy between ultrasonic transducers and target media have been severely limited because substantial mismatches of acoustic impedances have remained, even when coupling material layers have been interposed between the transducers and the target media. In contrast, SMIHAs can, in principle, be designed to effect more nearly complete acoustic impedance matching, leading to power transmission efficiencies of 90 percent or even greater. The SMIHA concept is based on extension, into the higher-frequency/ lower-wavelength ultrasonic range, of the use of horns to match acoustic impedances in the audible and lower-frequency ultrasonic ranges. In matching acoustic impedance in transmission from a higher-impedance acoustic source (e.g., a piezoelectric transducer) and a lowerimpedance target medium (e.g., air or human tissue), a horn acts as a mechanical amplifier. The shape and size of the horn can be optimized for matching acoustic impedance in a specified frequency range. A typical SMIHA would consist of a base plate, a face plate, and an array of horns that would constitute pillars that connect the two plates (see figure). In use, the base plate would be connected to an ultrasonic transducer and the face plate would be placed in contact with the target medium. As at lower frequencies, the sizes and shapes of the pillars could be tailored for impedance matching in a specified ultrasonic frequency range. In a design that would be simplest to implement by micromachining, the horns would have constant cross-sectional areas as shown in the upper part of the figure. In this case, the dimensions of the horns could be chosen on the basis of a Mason equivalent-circuit model (a simplified model, well-known in the piezoelectric-transducer art, in which the electrical and mechanical dynamics, including electromechanical couplings, are expressed as electrical circuit elements that can include inductors, capacitors, and lumped-parameter complex impedances.) In a more complex, more nearly optimum design, the cross-sectional area of each horn would be either stepped or made to vary as a continuous function of through-the thickness position, as shown in the lower part of the figure.

Rao, Shanti↗
NASA NTRS2021

Planet Matching and Orbit Determination in multi-planet systems for Exoplanet Direct Imaging

A key aspect of the search for Earth-like exoplanets with direct imaging is determining if the exoplanet is in the habitable zone. Future direct imaging mission concepts such as HabEx and LUVOIR require an efficient cadence of observations. Previous work shows that a minimum of three epochs, spanning more than half a period, can determine orbital parameters to 10\% for a single, circular orbit. Multi-planet systems may require a different number and cadence of observations. We begin to address the multi-planet minimum observation approach by considering only the astrometric data of exoplanet candidate objects in high contrast images. Existing multi-planet trajectory matching libraries such as “Orbits For The Impatient” (OFTI) currently require users to specify which point sources belong to which planet and assumes that the user has already matched true-positive detections to planets. Additionally, planet matching needs to be considered when assessing the impact of observation scheduling on trajectory estimation accuracy. To address this need for fitting orbits to multiple objects with limited knowledge, we present an approach using a Monte Carlo study of different observation schedules and planetary systems in which we have developed an algorithm to automatically match observations to planets, and then check the accuracy of the matches. With a large number of cases, we can constrain the number of observations and the spacing necessary to “deconfuse” the detections. We present preliminary planet matching success rates for different observing schedules and planetary system parameters. We use these results to assess the scope of the confusion problem and discuss potential mitigation strategies.

Cahoy, Kerri↗
DOE OSTI2014

Send-side matching of data communications messages

Send-side matching of data communications messages in a distributed computing system comprising a plurality of compute nodes, including: issuing by a receiving node to source nodes a receive message that specifies receipt of a single message to be sent from any source node, the receive message including message matching information, a specification of a hardware-level mutual exclusion device, and an identification of a receive buffer; matching by two or more of the source nodes the receive message with pending send messages in the two or more source nodes; operating by one of the source nodes having a matching send message the mutual exclusion device, excluding messages from other source nodes with matching send messages and identifying to the receiving node the source node operating the mutual exclusion device; and sending to the receiving node from the source node operating the mutual exclusion device a matched pending message.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Send-side matching of data communications messages

Send-side matching of data communications messages includes a plurality of compute nodes organized for collective operations, including: issuing by a receiving node to source nodes a receive message that specifies receipt of a single message to be sent from any source node, the receive message including message matching information, a specification of a hardware-level mutual exclusion device, and an identification of a receive buffer; matching by two or more of the source nodes the receive message with pending send messages in the two or more source nodes; operating by one of the source nodes having a matching send message the mutual exclusion device, excluding messages from other source nodes with matching send messages and identifying to the receiving node the source node operating the mutual exclusion device; and sending to the receiving node from the source node operating the mutual exclusion device a matched pending message.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A distributed-memory approximation algorithm for maximum weight perfect bipartite matching

We design and implement an efficient parallel approximation algorithm for the problem of maximum weight perfect matching in bipartite graphs, i.e. the problem of finding a set of non-adjacent edges that covers all vertices and has maximum weight. This problem differs from the maximum weight matching problem, for which scalable approximation algorithms are known. It is primarily motivated by finding good pivots in scalable sparse direct solvers before factorization where sequential implementations of maximum weight perfect matching algorithms, such as those available in MC64, are widely used due to the lack of scalable alternatives. To overcome this limitation, we propose a fully parallel distributed memory algorithm that first generates a perfect matching and then searches for weightaugmenting cycles of length four in parallel and iteratively augments the matching with a vertex disjoint set of such cycles. For most practical problems the weights of the perfect matchings generated by our algorithm are very close to the optimum. An efficient implementation of the algorithm scales up to 256 nodes (17,408 cores) on a Cray XC40 supercomputer and can solve instances that are too large to be handled by a single node using the sequential algorithm.

Azad, Ariful↗
DOE OSTI2020

Pattern-matching indexing of Laue and monochromatic serial crystallography data for applications in materials science

Serial crystallography data can be challenging to index, as each frame is processed individually, rather than being processed as a whole like in conventional X-ray single-crystal crystallography. An algorithm has been developed to index still diffraction patterns arising from small-unit-cell samples. The algorithm is based on the matching of reciprocal-lattice vector pairs, as developed for Laue microdiffraction data indexing, combined with three-dimensional pattern matching using a nearest-neighbors approach. As a result, large-bandpass data (e.g. 5–24 keV energy range) and monochromatic data can be processed, the main requirement being prior knowledge of the unit cell. Furthermore, angles calculated in the vicinity of a few theoretical and experimental reciprocal-lattice vectors are compared, and only vectors with the highest number of common angles are selected as candidates to obtain the orientation matrix. Global matching on the entire pattern is then checked. Four indexing options are available, two for the ranking of the theoretical reciprocal-lattice vectors and two for reducing the number of possible candidates. Furthermore, the algorithm has been used to index several data sets collected under different experimental conditions on a series of model samples. Additionally, knowing the crystallographic structure of the sample and using this information to rank the theoretical reflections based on the structure factors helps the indexing of large-bandpass data for the largest-unit-cell samples. For small-bandpass data, shortening the candidate list to determine the orientation matrix should be based on matching pairs of reciprocal-lattice vectors instead of triplet matching.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Generating moment matching scenarios using optimization techniques

An optimization based method is proposed to generate moment matching scenarios for numerical integration and its use in stochastic programming. The main advantage of the method is its flexibility: it can generate scenarios matching any prescribed set of moments of the underlying distribution rather than matching all moments up to a certain order, and the distribution can be defined over an arbitrary set. This allows for a reduction in the number of scenarios and allows the scenarios to be better tailored to the problem at hand. The method is based on a semi-infinite linear programming formulation of the problem that is shown to be solvable with polynomial iteration complexity. A practical column generation method is implemented. The column generation subproblems are polynomial optimization problems; however, they need not be solved to optimality. It is found that the columns in the column generation approach can be efficiently generated by random sampling. The number of scenarios generated matches a lower bound of Tchakaloff's. The rate of convergence of the approximation error is established for continuous integrands, and an improved bound is given for smooth integrands. Extensive numerical experiments are presented in which variants of the proposed method are compared to Monte Carlo and quasi-Monte Carlo methods on both numerical integration problems and stochastic optimization problems. The benefits of being able to match any prescribed set of moments, rather than all moments up to a certain order, is also demonstrated using optimization problems with 100-dimensional random vectors. Here, empirical results show that the proposed approach outperforms Monte Carlo and quasi-Monte Carlo based approaches on the tested problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Trajectory Segmentation Map-Matching Approach for Large-Scale, High-Resolution GPS Data

With the development of smartphones and portable GPS devices, large-scale, high-resolution GPS data can be collected. Map matching is a critical step in studying vehicle driving activity and recognizing network traffic conditions from the data. A new trajectory segmentation map-matching algorithm is proposed to deal accurately and efficiently with large-scale, high-resolution GPS trajectory data. The new algorithm separated the GPS trajectory into segments. It found the shortest path for each segment in a scientific manner and ultimately generated a best-matched path for the entire trajectory. The similarity of a trajectory segment and its matched path is described by a similarity score system based on the longest common subsequence. The numerical experiment indicated that the proposed map-matching algorithm was very promising in relation to accuracy and computational efficiency. Large-scale data set applications verified that the proposed method is robust and capable of dealing with real-world, large-scale GPS data in a computationally efficient and accurate manner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Face‐on Orientation Matches Vertical Organic Electrochemical Transistors for High Transconductance and Superior Non‐Volatility

Abstract The recently developed vertical structure of organic electrochemical transistors (OECTs) can integrate volatile and non‐volatile functions into one reconfigurable device, making it highly promising. However, comparing with the conventional planar OECT (c‐OECT), the understanding of vertical OECT (v‐OECT) working principles and device engineering strategies is still lacking, impeding rational optimization. Since a major difference between c‐ and v‐OECTs is their charge transport directionality, which is highly influenced by crystallite orientations, the orientation–device structure match thus becomes an important yet outstanding topic for OECTs. Herein, using ann‐type small molecule IDIC‐MEG, investigate how much impact such match can have on OECT performance. The IDIC‐MEG c‐OECT fails to work due to the seriously hindered in‐plane electron transport by face‐on orientation. Surprisingly, simply changing the device structure from planar to vertical allows the resultant v‐OECT to exhibit the highest reported transconductance (46.3 mS) among all small‐molecule OECTs, thanks to the match between face‐on orientation and the vertical structure. Such match also leads to excellent non‐volatility, including highly predictable programmability and good operational stability. This work, for the first time, explicitly demonstrates the significance of orientation–device structure match for OECT optimization, establishing new guidelines for achieving high‐performance volatile and non‐volatile OECTs.

Chemistry↗
DOE OSTI2021

Six-dimensional matching of intense beam with linear accelerating structure

Beam matching is a common technique that is routinely employed in accelerator design with the aim of minimizing beam losses and preservation of beam brightness. Despite being widely used, a full theoretical understanding of beam matching in 6D remains elusive. In this work, we present an analytical treatment of 6D beam matching of a high-intensity beam onto an RF structure. We begin our analysis within the framework of a linear model, and apply the averaging method to a set of 3D beam envelope equations. Accordingly, we obtain a matched solution that is comprised of smoothed envelopes and periodic terms, describing envelope oscillations with the period of the focusing structure. We then consider the nonlinear regime, where the beam size is comparable with the separatrix size. Stating with a Hamiltonian analysis in 6D phase space, we attain a self-consistent beam profile and show that it is significantly different from the commonly used ellipsoidal shape. Subsequently, we analyze the special case of an equilibrium with equal space charge depression between all degrees of freedom. Comparison of beam dynamics for equipartitioned, equal space charge depression, and equal emittances beams is given. Finally, we present experimental results on beam matching in the LANSCE linac.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Structural match of heterogeneously nucleated Mn(OH) 2 (s) nanoparticles on quartz under various pH conditions

The early nucleation stage of Mn (hydr)oxide on mineral surfaces is crucial to understand its occurrence and the cycling of nutrients in environmental systems. However, there are only limited studies on the heterogeneous nucleation of Mn(OH) 2 (s) as the initial stage of Mn (hydr)oxide precipitation. Here, we investigated the effect of pH on the initial nucleation of Mn(OH) 2 (s) on quartz. Under various pH conditions of 9.8, 9.9, and 10.1, we analyzed the structural matches between quartz and heterogeneously nucleated Mn(OH) 2 (s). The structural matches were calculated by measuring lateral and vertical dimensions using grazing incidence small angle X-ray scattering (GISAXS) and atomic force microscopy (AFM), respectively. We found that a poorer structural match occurred at a higher pH than at a lower pH. The faster nucleation at a higher pH condition accounted for the observed poorer structural match. By fitting the structural match using classical nucleation theory, we also calculated the interfacial energy between Mn(OH) 2 (s) and water (γ nf = 71 ± 7 mJ/m 2 ). The calculated m values and γ nf provided the variance of interfacial energy between quartz and Mn(OH) 2 (s): γ sn = 262–272 mJ/m 2 . As a result, this study provides new qualitative and quantitative information about heterogeneous nucleation on environmentally an abundant mineral surface, quartz, and it offers important underpinnings for understanding the fate and transport of trace ions in environmental systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗