BEGIN:VCALENDAR VERSION:2.0 PRODID:IEEE vTools.Events//EN CALSCALE:GREGORIAN BEGIN:VTIMEZONE TZID:America/Denver BEGIN:DAYLIGHT DTSTART:20260308T030000 TZOFFSETFROM:-0700 TZOFFSETTO:-0600 RRULE:FREQ=YEARLY;BYDAY=2SU;BYMONTH=3 TZNAME:MDT END:DAYLIGHT BEGIN:STANDARD DTSTART:20261101T010000 TZOFFSETFROM:-0600 TZOFFSETTO:-0700 RRULE:FREQ=YEARLY;BYDAY=1SU;BYMONTH=11 TZNAME:MST END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTAMP:20260911T225844Z UID:DAD20DAC-9B11-44CC-9C41-FFB286CBBDC9 DTSTART;TZID=America/Denver:20260911T110000 DTEND;TZID=America/Denver:20260911T120000 DESCRIPTION:Solid-state lithium electrolytes are critical to the developmen t of safe and efficient electrochemical cells. They eliminate flammable or ganic solvents\, physically suppress dendrite growth\, and significantly e xtend battery life for long-duration energy storage applications. Macrosco pic ion transport in these materials is strictly governed by the topology\ , dimensionality\, and local anisotropy of diffusion pathways within the c rystal lattice. This lecture presents a comprehensive\, multiscale researc h approach that integrates ⁷Li pulsed-field gradient NMR (PGSE NMR) spec troscopy\, molecular dynamics (MD) simulations\, and X-ray diffraction (XR D) with Rietveld refinement.\n\nThe first part of the talk will discuss re sults for model hydride systems: the high-temperature hexagonal phase of L iBH₄ and LiBH₄–LiBr composites. XRD-Rietveld analysis confirmed the P6₃mc space group symmetry\, providing a structural basis for MD simulat ions\, which revealed intertwined lithium migration channels along the [00 1] direction with zig-zag jumps across the (001) planes. PGSE NMR experime nts quantified the diffusion tensor components\, demonstrating distinct tr ansport anisotropy (D∥ > D⊥). By modeling the powder-averaged diffusio n tensor based on Euclidean space rotation schemes\, we derived analytical equations linking the measured spin-echo attenuation to the principal ten sor components\, allowing for a precise correlation between experimental a ctivation barriers and MD energy landscapes. The focus of the lecture will be the extension of this methodology to advanced superionic sulfide condu ctors with an argyrodite-type structure and top-tier all-solid-state batte ry conductors\, specifically\, the LGPS (Li₁₀GeP₂S₁₂) family. Ne w structural (XRD) and dynamic (⁷Li PFG-NMR) results for LGPS phases wil l be juxtaposed with theoretical models to map 3D ionic percolation pathwa ys. This integrated framework effectively opens the "black box" of macrosc opic conductivity measurements\, providing materials scientists with preci se guidelines for optimizing crystallographic texture\, lattice strain\, a nd grain boundaries to achieve ultrafast charging in modern solid-state ba tteries.\n\nSpeaker(s): Kosma\, \n\nRoom: A204\, Bldg: Osborne Center\, UC CS\, 1420 Austin Bluffs Pkwy\, Colorado Springs\, Colorado\, United States \, 80918 LOCATION:Room: A204\, Bldg: Osborne Center\, UCCS\, 1420 Austin Bluffs Pkwy \, Colorado Springs\, Colorado\, United States\, 80918 ORGANIZER:jbrock8@uccs.edu SEQUENCE:10 SUMMARY:Prof. Kosma Szutkowski - Mapping Long-Range 3D Lithium Diffusion in Solid Electrolytes Using PGSE NMR\, XRD\, and MD Simulations. From Model Hydrides to Advanced LGPS Superionic Conductors URL;VALUE=URI:https://events.vtools.ieee.org/m/576511 X-ALT-DESC:Description: <br /><p class="MsoNormal" style="text-align: justi fy\;"><!-- [if gte vml 1]><v:shapetype\n id="_x0000_t75" coordsize="21600\ ,21600" o:spt="75" o:preferrelative="t"\n path="m@4@5l@4@11@9@11@9@5xe" fi lled="f" stroked="f">\n <v:stroke joinstyle="miter"/>\n <v:formulas>\n <v :f eqn="if lineDrawn pixelLineWidth 0"/>\n <v:f eqn="sum @0 1 0"/>\n <v: f eqn="sum 0 0 @1"/>\n <v:f eqn="prod @2 1 2"/>\n <v:f eqn="prod @3 2160 0 pixelWidth"/>\n <v:f eqn="prod @3 21600 pixelHeight"/>\n <v:f eqn="sum @0 0 1"/>\n <v:f eqn="prod @6 1 2"/>\n <v:f eqn="prod @7 21600 pixelWid th"/>\n <v:f eqn="sum @8 21600 0"/>\n <v:f eqn="prod @7 21600 pixelHeigh t"/>\n <v:f eqn="sum @10 21600 0"/>\n </v:formulas>\n <v:path o:extrusion ok="f" gradientshapeok="t" o:connecttype="rect"/>\n <o:lock v:ext="edit" a spectratio="t"/>\n</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x00 00_s1026" type="#_x0000_t75"\n style='position:absolute\;left:0\;text-alig n:left\;margin-left:-.05pt\;\n margin-top:1.6pt\;width:99.95pt\;height:144 .4pt\;z-index:-251657216\;visibility:visible\;\n mso-wrap-style:square\;ms o-width-percent:0\;mso-height-percent:0\;\n mso-wrap-distance-left:9pt\;ms o-wrap-distance-top:0\;mso-wrap-distance-right:9pt\;\n mso-wrap-distance-b ottom:0\;mso-position-horizontal:absolute\;\n mso-position-horizontal-rela tive:margin\;mso-position-vertical:absolute\;\n mso-position-vertical-rela tive:text\;mso-width-percent:0\;mso-height-percent:0\;\n mso-width-relativ e:page\;mso-height-relative:page'>\n <v:imagedata src="file:////Users/jeff /Library/Group%20Containers/UBF8T346G9.Office/TemporaryItems/msohtmlclip/c lip_image001.png"\n o:title=""/>\n <w:wrap type="square" anchorx="margin" />\n</v:shape><![endif]--><!-- [if !vml]--><img src="file:////Users/jeff/L ibrary/Group%20Containers/UBF8T346G9.Office/TemporaryItems/msohtmlclip/cli p_image001.png" width="100" height="144" align="left" hspace="12"><!--[end if]--><span style="font-size: 12.0pt\; line-height: 107%\; mso-bidi-font-f amily: Calibri\; mso-bidi-theme-font: minor-latin\;">Solid-state lithium e lectrolytes are critical to the development of safe and efficient electroc hemical cells. They eliminate flammable organic solvents\, physically supp ress dendrite growth\, and significantly extend battery life for long-dura tion energy storage applications. Macroscopic ion transport in these mater ials is strictly governed by the topology\, dimensionality\, and local ani sotropy of diffusion pathways within the crystal lattice. This lecture pre sents a comprehensive\, multiscale research approach that integrates ⁷Li pulsed-field gradient NMR (PGSE NMR) spectroscopy\, molecular dynamics (M D) simulations\, and X-ray diffraction (XRD) with Rietveld refinement.</sp an></p>\n<p class="MsoNormal" style="text-align: justify\;"><span style="f ont-size: 12.0pt\; line-height: 107%\; mso-bidi-font-family: Calibri\; mso -bidi-theme-font: minor-latin\;">The first part of the talk will discuss r esults for model hydride systems: the high-temperature hexagonal phase of LiBH₄ and LiBH₄&ndash\;LiBr composites. XRD-Rietveld analysis confirme d the P6₃mc space group symmetry\, providing a structural basis for MD s imulations\, which revealed intertwined lithium migration channels along t he [001] direction with zig-zag jumps across the (001) planes. PGSE NMR ex periments quantified the diffusion tensor components\, demonstrating disti nct transport anisotropy (D</span><span style="font-size: 12.0pt\; line-he ight: 107%\; font-family: 'Cambria Math'\,serif\; mso-bidi-font-family: 'C ambria Math'\;">∥</span><span style="font-size: 12.0pt\; line-height: 10 7%\; mso-bidi-font-family: Calibri\; mso-bidi-theme-font: minor-latin\;"> &gt\; D</span><span style="font-size: 12.0pt\; line-height: 107%\; font-fa mily: 'Cambria Math'\,serif\; mso-bidi-font-family: 'Cambria Math'\;">&per p\;</span><span style="font-size: 12.0pt\; line-height: 107%\; mso-bidi-fo nt-family: Calibri\; mso-bidi-theme-font: minor-latin\;">). By modeling th e powder-averaged diffusion tensor based on Euclidean space rotation schem es\, we derived analytical equations linking the measured spin-echo attenu ation to the principal tensor components\, allowing for a precise correlat ion between experimental activation barriers and MD energy landscapes. The focus of the lecture will be the extension of this methodology to advance d superionic sulfide conductors with an argyrodite-type structure and top- tier all-solid-state battery conductors\, specifically\, the LGPS (Li₁ ₀GeP₂S₁₂) family. New structural (XRD) and dynamic (⁷Li PFG-NMR) results for LGPS phases will be juxtaposed with theoretical models to map 3D ionic percolation pathways. This integrated framework effectively open s the "black box" of macroscopic conductivity measurements\, providing mat erials scientists with precise guidelines for optimizing crystallographic texture\, lattice strain\, and grain boundaries to achieve ultrafast charg ing in modern solid-state batteries.</span></p>\n<p class="MsoNormal" styl e="text-align: center\;" align="center"><span style="font-size: 12.0pt\; l ine-height: 107%\; mso-bidi-font-family: Calibri\; mso-bidi-theme-font: mi nor-latin\;">&nbsp\;</span></p> END:VEVENT END:VCALENDAR