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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsVGa(PO5)2 by Materials Project

CsVGa(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.65 Å. V is bonded to six O atoms to form VO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.65–2.05 Å. Ga is bonded to four O atoms to form GaO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.87 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent VO6 octahedra and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 37–45°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent VO6 octahedra and corners with two equivalent GaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–49°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Cs, one V, and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent Cs, one V, and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ga and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Cs, one Ga, and one P atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one Cs, one Ga, and one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Cs, one V, and one P atom. In the seventh O site, O is bonded in a single-bond geometry to two equivalent Cs and one V atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Cs, one V, and one P atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Cs, one Ga, and one P atom. In the tenth O site, O is bonded in a single-bond geometry to one Cs and one V atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3Ni by Materials Project

Cs3Ni is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and four equivalent Ni atoms. There are four shorter (4.42 Å) and four longer (4.55 Å) Cs–Cs bond lengths. All Cs–Ni bond lengths are 4.42 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight equivalent Cs atoms. Ni is bonded in a 8-coordinate geometry to eight equivalent Cs atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Materials Data on Cs2RhCl5O by Materials Project

Cs2RhOCl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to two equivalent O and nine Cl atoms. Both Cs–O bond lengths are 3.76 Å. There are a spread of Cs–Cl bond distances ranging from 3.55–3.93 Å. In the second Cs site, Cs is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.66–3.81 Å. Rh is bonded in an octahedral geometry to one O and five Cl atoms. The Rh–O bond length is 1.79 Å. There are four shorter (2.38 Å) and one longer (2.42 Å) Rh–Cl bond lengths. O is bonded in a single-bond geometry to two equivalent Cs and one Rh atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Cs and one Rh atom. In the second Cl site, Cl is bonded in a 5-coordinate geometry to four Cs and one Rh atom.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Materials Data on CsMg6Sb by Materials Project

CsMg6Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Cs is bonded in a 4-coordinate geometry to two equivalent Cs, twelve Mg, and two equivalent Sb atoms. Both Cs–Cs bond lengths are 4.26 Å. There are a spread of Cs–Mg bond distances ranging from 3.69–4.28 Å. Both Cs–Sb bond lengths are 3.83 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted L-shaped geometry to one Cs, two equivalent Mg, and two equivalent Sb atoms. Both Mg–Mg bond lengths are 3.30 Å. Both Mg–Sb bond lengths are 2.90 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Cs and six Mg atoms. There are four shorter (3.17 Å) and two longer (3.54 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Cs, two equivalent Mg, and one Sb atom. The Mg–Sb bond length is 3.09 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to four equivalent Cs and six Mg atoms. Sb is bonded in a 8-coordinate geometry to two equivalent Cs and six Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3Sn4Au by Materials Project

Cs3AuSn4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to three Sn atoms. There are one shorter (3.76 Å) and two longer (3.88 Å) Cs–Sn bond lengths. In the second Cs site, Cs is bonded in a 12-coordinate geometry to two equivalent Au and four equivalent Sn atoms. Both Cs–Au bond lengths are 4.01 Å. There are two shorter (3.77 Å) and two longer (4.34 Å) Cs–Sn bond lengths. Au is bonded in a 6-coordinate geometry to two equivalent Cs and four Sn atoms. There are two shorter (2.81 Å) and two longer (2.82 Å) Au–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four Cs, one Au, and three Sn atoms. There are two shorter (3.00 Å) and one longer (3.07 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 2-coordinate geometry to one Cs, one Au, and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs3Ac by Materials Project

Cs3Ac is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a distorted body-centered cubic geometry to four equivalent Cs and four equivalent Ac atoms. All Cs–Cs bond lengths are 4.75 Å. All Cs–Ac bond lengths are 4.75 Å. In the second Cs site, Cs is bonded in a body-centered cubic geometry to eight equivalent Cs atoms. Ac is bonded in a body-centered cubic geometry to eight equivalent Cs atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on CsV2P3O14 by Materials Project

CsV2P3O14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 1-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.65 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.59–2.46 Å. In the second V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.61–2.22 Å. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one VO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 32–46°. There is one shorter (1.54 Å) and three longer (1.55 Å) P–O bond length. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of P–O bond distances ranging from 1.51–1.58 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Cs, one V, and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Cs, one V, and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a single-bond geometry to one Cs and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one V and one P atom. In the eighth O site, O is bonded in a single-bond geometry to two equivalent Cs and one V atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Cs, one V, and one P atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Cs, one V, and one P atom. In the eleventh O site, O is bonded in a 2-coordinate geometry to one Cs, one V, and one P atom. In the twelfth O site, O is bonded in a single-bond geometry to two equivalent Cs and one P atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Cs, one V, and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsZn8 by Materials Project

CsZn8 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cs is bonded in a 5-coordinate geometry to two equivalent Cs and fifteen Zn atoms. Both Cs–Cs bond lengths are 3.43 Å. There are a spread of Cs–Zn bond distances ranging from 3.38–4.08 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to two equivalent Cs and six Zn atoms. There are four shorter (2.69 Å) and two longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 6-coordinate geometry to four equivalent Cs and six Zn atoms. All Zn–Zn bond lengths are 2.72 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Cs and eight Zn atoms. There are four shorter (2.79 Å) and four longer (2.85 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 9-coordinate geometry to one Cs and eight Zn atoms. There are four shorter (2.76 Å) and four longer (2.80 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 9-coordinate geometry to one Cs and eight Zn atoms. There are one shorter (2.52 Å) and one longer (2.89 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Cs and eight Zn atoms. The Zn–Zn bond length is 3.00 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2MgZr(PO4)3 by Materials Project

Cs2MgZr(PO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Cs–O bond distances ranging from 3.05–3.42 Å. In the second Cs site, Cs is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.36 Å. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.10 Å) and three longer (2.13 Å) Mg–O bond lengths. Zr is bonded to six O atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.14 Å) Zr–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent MgO6 octahedra and corners with two equivalent ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 12–41°. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two Cs, one Mg, and one P atom. In the second O site, O is bonded in a 2-coordinate geometry to one Cs, one Mg, and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to three Cs, one Zr, and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Cs, one Zr, and one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2In(IO3)6 by Materials Project

Cs2In(O3I)6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.32 Å. In is bonded in an octahedral geometry to six O atoms. There are four shorter (2.17 Å) and two longer (2.18 Å) In–O bond lengths. There are nine inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Cs, one In, and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a distorted single-bond geometry to one Cs and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a distorted single-bond geometry to one Cs and one I atom. The O–I bond length is 1.82 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to one Cs, one In, and one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one Cs and one I atom. The O–I bond length is 1.83 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one Cs and one I atom. The O–I bond length is 1.82 Å. In the seventh O site, O is bonded in a 3-coordinate geometry to one Cs, one In, and one I atom. The O–I bond length is 1.86 Å. In the eighth O site, O is bonded in a distorted single-bond geometry to one Cs and one I atom. The O–I bond length is 1.82 Å. In the ninth O site, O is bonded in a distorted single-bond geometry to one Cs and one I atom. The O–I bond length is 1.84 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three O atoms. In the second I site, I is bonded in a 3-coordinate geometry to three O atoms. In the third I site, I is bonded in a 3-coordinate geometry to three O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsU2(AsO9)2 by Materials Project

CsU2(AsO9)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 4-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.83 Å. There are two inequivalent U sites. In the first U site, U is bonded to six O atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.28 Å. In the second U site, U is bonded to six O atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.30 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. All As–O bond lengths are 1.72 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 38–41°. There are a spread of As–O bond distances ranging from 1.71–1.73 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted single-bond geometry to one Cs and one U atom. In the fourth O site, O is bonded in a single-bond geometry to one Cs and one U atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one As atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one Cs, one U, and one As atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one U and one As atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one Cs and one O atom. The O–O bond length is 1.23 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Cs and one O atom. The O–O bond length is 1.22 Å. In the fifteenth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one O atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Cs and one O atom. The O–O bond length is 1.23 Å. In the seventeenth O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one O atom. In the eighteenth O site, O is bonded in a single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2FeCl5O by Materials Project

Cs2FeOCl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to two equivalent O and nine Cl atoms. Both Cs–O bond lengths are 3.68 Å. There are eight shorter (3.62 Å) and one longer (3.95 Å) Cs–Cl bond lengths. In the second Cs site, Cs is bonded in a distorted q6 geometry to ten Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.60–3.83 Å. Fe is bonded in an octahedral geometry to one O and five Cl atoms. The Fe–O bond length is 1.79 Å. There are one shorter (2.29 Å) and four longer (2.40 Å) Fe–Cl bond lengths. O is bonded in a single-bond geometry to two equivalent Cs and one Fe atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Cs and one Fe atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four Cs and one Fe atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsOs2O9 by Materials Project

CsOs2O9 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Cs is bonded in a 11-coordinate geometry to fourteen O atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.67 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 5-coordinate geometry to five O atoms. There are four shorter (1.74 Å) and one longer (2.29 Å) Os–O bond lengths. In the second Os site, Os is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Os–O bond distances ranging from 1.74–2.20 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cs and one Os atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one Os atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one Os atom. In the fourth O site, O is bonded in a single-bond geometry to two equivalent Cs and one Os atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one Cs and two Os atoms. In the sixth O site, O is bonded in a single-bond geometry to two equivalent Cs and one Os atom. In the seventh O site, O is bonded in a single-bond geometry to two equivalent Cs and one Os atom. In the eighth O site, O is bonded in a single-bond geometry to one Cs and one Os atom. In the ninth O site, O is bonded in a single-bond geometry to one Cs and one Os atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsDyN4O15 by Materials Project

CsDyN4O15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 3-coordinate geometry to ten O atoms. There are a spread of Cs–O bond distances ranging from 3.08–3.66 Å. Dy is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Dy–O bond distances ranging from 2.34–2.54 Å. There are four inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the fourth N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. There are fifteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Cs, one Dy, and one N atom. In the second O site, O is bonded in a 2-coordinate geometry to one Cs, one Dy, and one N atom. In the third O site, O is bonded in a single-bond geometry to one Cs and one N atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Cs, one Dy, and one N atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Cs and one N atom. In the seventh O site, O is bonded in a water-like geometry to one Dy and one N atom. In the eighth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Cs and one N atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Cs, one Dy, and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent Cs and one N atom. In the twelfth O site, O is bonded in a 2-coordinate geometry to one Cs, one Dy, and one N atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.33 Å) O–O bond length. In the fourteenth O site, O is bonded in a water-like geometry to one Dy and one O atom. In the fifteenth O site, O is bonded in a single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Alteration of the Cesium-137 soil profile by wild boar rooting after the Fukushima Daiichi Nuclear Power Plant accident

Large amounts of Cesium-137 ( 137 Cs, physical half-life ca. 30 years) were released into the environment from the 2011 Fukushima Daiichi Nuclear Power Plant (FDNPP) accident in Japan. Initially contaminants from the accident were deposited on the surface soil layers in terrestrial ecosystems, but over time vertical migration of 137 Cs has occurred, with most 137 Cs now distributed a few centimeters below the soil surface. Wild boar (Sus scrofa) rooting likely alters the distribution of contaminants in soil profiles. Such impacts may be particularly pronounced in areas contaminated from the FDNPP accident, given the increase in abundance of wild boar in these areas. Our objective was to determine whether rooting by wild boar alters the distribution of 137 Cs contamination within soil profiles through collection of soil cores from control sites and two different types of rooting samples, “new depressions” and “old depressions” within the difficult-to-return zone surrounding the FDNPP. The 137 Cs ratio [activity concentration of 137 Cs at each depth / the maximum activity concentration of 137 Cs in each core sample] rapidly decreased after reaching a peak at the control sites. However, the 137 Cs ratio at all rooted sites decreased more slowly, and 137 Cs was distributed deeper into the soil layers than control sites, across both new and old rooting sites. Moreover, the 137 Cs soil profiles varied greatly among core samples and sampling sites. Furthermore, these results demonstrate that soil disturbance from wild boar rooting can directly influence the distribution of contaminants within soil profiles. However, the extent to which deeper layers are affected by contamination depends on the unique characteristics (i.e., depth of rooting) of each wild boar rooting disturbance. Further studies are needed to examine the effects of long-term rooting on the alteration of 137 Cs in soil profiles.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2016

Molecular dynamics simulations of cesium adsorption on illite nanoparticles

Here we present that the charged surfaces of micaceous minerals, especially illite, regulate the mobility of the major radioisotopes of Cs ( 134 Cs, 135 Cs, 137 Cs) in the geosphere. Despite the long history of Cs adsorption studies, the nature of the illite surface sites remains incompletely understood. To address this problem, we present atomistic simulations of Cs competition with Na for three candidate illite adsorption sites – edge, basal plane, and interlayer. Our simulation results are broadly consistent with affinities and selectivities that have been inferred from surface complexation models. Cation exchange on the basal planes is thermodynamically ideal, but exchange on edge surfaces and within interlayers shows complex, thermodynamically non-ideal behavior. The basal planes are weakly Cs-selective, while edges and interlayers have much higher affinity for Cs. The dynamics of Na-Cs exchange are rapid for both cations on the basal planes, but considerably slower for Cs localized on edge surfaces. Lastly, in addition to new insights into Cs adsorption and exchange with Na on illite, we report the development of a methodology capable of simulating fully-flexible clay mineral nanoparticles with stable edge surfaces using a well-tested interatomic potential model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Towards the sustainable conversion of corn stover into bioenergy and bioproducts through biochemical route: Technical, economic and strategic perspectives

Corn stover (CS) is one of the most abundant agricultural wastes and is ubiquitous around the world that is left over after grain harvest and accounts for 47–50% dry mass of the total grain yield. The global CS yield is 1661.25 million tons/year, which is 27.2% of the total agricultural waste. CS consists of about 34.5% stems, 32.3% leaves, 14.3% husks, 12.3% cobs and 6.6% flowers, with up to 45% cellulose, 30% hemicellulose and 20% lignin. Further, due to its favorable economic and environmental potential, CS is considered an ideal raw material for producing biofuels and biobased chemicals, which can largely be divided into carbohydrate and lignin platforms. However, the techno-economic perspectives of CS-based biorefineries have remained questionable due to the inadequate supply chain logistics, lack of cost-effective conversion technologies, limited scale-up of the product-specific technologies, and lower competitiveness in the market compared to their counterparts, such as sugar and starch-based biorefineries. While CS is converted by thermochemical and biochemical approaches, the latter is considered to be more sustainable for its selective conversion under mild conditions using microorganisms. This review aimed to critically discuss the latest research and developments on the biochemical conversion of CS into biofuels and chemicals. In particular, this paper covers the market potential of biofuels and chemicals to which CS can make a significant contribution, technological developments in the microbial conversion of CS, major biofuels and chemicals produced from CS-derived carbohydrates and lignin, and the technoeconomic perspectives of CS-based biorefinery.

09 BIOMASS FUELS↗
DOE OSTI2017

Cesium sorption reversibility and kinetics on illite, montmorillonite, and kaolinite

Understanding sorption and desorption processes is essential to predicting the mobility of radionuclides in the environment. In this study, we investigate adsorption/desorption of cesium in both binary (Cs + one mineral) and ternary (Cs + two minerals) experiments to study component additivity and sorption reversibility over long time periods (500 days). Binary Cs sorption experiments were performed with illite, montmorillonite, and kaolinite in a 5 mM NaCl/0.7 mM NaHCO3 solution (pH 8) and Cs concentration range of 10 –3 to 10 –11 M. The binary sorption experiments were followed by batch desorption experiments. The sorption behavior was modeled with the FIT4FD code and the results used to predict desorption behavior. Sorption to montmorillonite and kaolinite was linear over the entire concentration range but sorption to illite was non-linear, indicating the presence of multiple sorption sites. Based on the 14 day batch desorption data, cesium sorption appeared irreversible at high surface loadings in the case of illite but reversible at all concentrations for montmorillonite and kaolinite. Additionally, a novel experimental approach, using a dialysis membrane, was adopted in the ternary experiments, allowing investigation of the effect of a second mineral on Cs desorption from the original mineral. Cs was first sorbed to illite, montmorillonite or kaolinite, then a 3.5–5 kDalton Float-A-Lyzer® dialysis bag with 0.3 g of illite was introduced to each experiment inducing desorption. Nearly complete Cs desorption from kaolinite and montmorillonite was observed over the experiment, consistent with our equilibrium model, indicating complete Cs desorption from these minerals. Results from the long-term ternary experiments show significantly greater Cs desorption compared to the binary desorption experiments. Approximately ~ 45% of Cs desorbed from illite. However, our equilibrium model predicted ~ 65% desorption. Importantly, the data imply that in some cases, slow desorption kinetics rather than permanent fixation may play an important role in apparent irreversible Cs sorption.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗